(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide

C341H335N29O45 — CID 59562004

IUPAC(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide
SMILESCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)NCCc1c[nH]cn1)C(=O)NCCOCCN=[N+]=[N-]
InChIInChI=1S/C341H335N29O45/c1-234(2)190-297(321(374)369-318(320(373)345-186-188-395-189-187-347-370-342)211-319(372)344-185-184-276-212-343-233-346-276)349-323(376)299(192-237-106-146-278(147-107-237)397-214-257-66-26-5-27-67-257)351-325(378)301(194-239-110-150-280(151-111-239)399-216-259-70-30-7-31-71-259)353-327(380)303(196-241-114-154-282(155-115-241)401-218-261-74-34-9-35-75-261)355-329(382)305(198-243-118-158-284(159-119-243)403-220-263-78-38-11-39-79-263)357-331(384)307(200-245-122-162-286(163-123-245)405-222-265-82-42-13-43-83-265)359-333(386)309(202-247-126-166-288(167-127-247)407-224-267-86-46-15-47-87-267)361-335(388)311(204-249-130-170-290(171-131-249)409-226-269-90-50-17-51-91-269)363-337(390)313(206-251-134-174-292(175-135-251)411-228-271-94-54-19-55-95-271)365-339(392)315(208-253-138-178-294(179-139-253)413-230-273-98-58-21-59-99-273)367-341(394)317(210-255-142-182-296(183-143-255)415-232-275-102-62-23-63-103-275)368-340(393)316(209-254-140-180-295(181-141-254)414-231-274-100-60-22-61-101-274)366-338(391)314(207-252-136-176-293(177-137-252)412-229-272-96-56-20-57-97-272)364-336(389)312(205-250-132-172-291(173-133-250)410-227-270-92-52-18-53-93-270)362-334(387)310(203-248-128-168-289(169-129-248)408-225-268-88-48-16-49-89-268)360-332(385)308(201-246-124-164-287(165-125-246)406-223-266-84-44-14-45-85-266)358-330(383)306(199-244-120-160-285(161-121-244)404-221-264-80-40-12-41-81-264)356-328(381)304(197-242-116-156-283(157-117-242)402-219-262-76-36-10-37-77-262)354-326(379)302(195-240-112-152-281(153-113-240)400-217-260-72-32-8-33-73-260)352-324(377)300(193-238-108-148-279(149-109-238)398-215-258-68-28-6-29-69-258)350-322(375)298(348-235(3)371)191-236-104-144-277(145-105-236)396-213-256-64-24-4-25-65-256/h4-183,212,233-234,297-318H,184-211,213-232H2,1-3H3,(H,343,346)(H,344,372)(H,345,373)(H,348,371)(H,349,376)(H,350,375)(H,351,378)(H,352,377)(H,353,380)(H,354,379)(H,355,382)(H,356,381)(H,357,384)(H,358,383)(H,359,386)(H,360,385)(H,361,388)(H,362,387)(H,363,390)(H,364,389)(H,365,392)(H,366,391)(H,367,394)(H,368,393)(H,369,374)/t297-,298+,299+,300+,301+,302+,303+,304+,305+,306+,307+,308+,309+,310+,311+,312+,313+,314+,315+,316+,317+,318+/m1/s1
InChIKeyXFJWEUCUMRVHOQ-GILLHDMYSA-N
MW5559.59 g/mol
LogP46.07
Rot. Bonds157

About (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide

(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide (PubChem CID 59562004) has the molecular formula C341H335N29O45 and a molecular weight of 5559.59 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide
PubChem CID59562004
Molecular FormulaC341H335N29O45
Molecular Weight5559.59 g/mol
Exact Mass5555.48
IUPAC Name(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide
SMILESCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)NCCc1c[nH]cn1)C(=O)NCCOCCN=[N+]=[N-]
InChIInChI=1S/C341H335N29O45/c1-234(2)190-297(321(374)369-318(320(373)345-186-188-395-189-187-347-370-342)211-319(372)344-185-184-276-212-343-233-346-276)349-323(376)299(192-237-106-146-278(147-107-237)397-214-257-66-26-5-27-67-257)351-325(378)301(194-239-110-150-280(151-111-239)399-216-259-70-30-7-31-71-259)353-327(380)303(196-241-114-154-282(155-115-241)401-218-261-74-34-9-35-75-261)355-329(382)305(198-243-118-158-284(159-119-243)403-220-263-78-38-11-39-79-263)357-331(384)307(200-245-122-162-286(163-123-245)405-222-265-82-42-13-43-83-265)359-333(386)309(202-247-126-166-288(167-127-247)407-224-267-86-46-15-47-87-267)361-335(388)311(204-249-130-170-290(171-131-249)409-226-269-90-50-17-51-91-269)363-337(390)313(206-251-134-174-292(175-135-251)411-228-271-94-54-19-55-95-271)365-339(392)315(208-253-138-178-294(179-139-253)413-230-273-98-58-21-59-99-273)367-341(394)317(210-255-142-182-296(183-143-255)415-232-275-102-62-23-63-103-275)368-340(393)316(209-254-140-180-295(181-141-254)414-231-274-100-60-22-61-101-274)366-338(391)314(207-252-136-176-293(177-137-252)412-229-272-96-56-20-57-97-272)364-336(389)312(205-250-132-172-291(173-133-250)410-227-270-92-52-18-53-93-270)362-334(387)310(203-248-128-168-289(169-129-248)408-225-268-88-48-16-49-89-268)360-332(385)308(201-246-124-164-287(165-125-246)406-223-266-84-44-14-45-85-266)358-330(383)306(199-244-120-160-285(161-121-244)404-221-264-80-40-12-41-81-264)356-328(381)304(197-242-116-156-283(157-117-242)402-219-262-76-36-10-37-77-262)354-326(379)302(195-240-112-152-281(153-113-240)400-217-260-72-32-8-33-73-260)352-324(377)300(193-238-108-148-279(149-109-238)398-215-258-68-28-6-29-69-258)350-322(375)298(348-235(3)371)191-236-104-144-277(145-105-236)396-213-256-64-24-4-25-65-256/h4-183,212,233-234,297-318H,184-211,213-232H2,1-3H3,(H,343,346)(H,344,372)(H,345,373)(H,348,371)(H,349,376)(H,350,375)(H,351,378)(H,352,377)(H,353,380)(H,354,379)(H,355,382)(H,356,381)(H,357,384)(H,358,383)(H,359,386)(H,360,385)(H,361,388)(H,362,387)(H,363,390)(H,364,389)(H,365,392)(H,366,391)(H,367,394)(H,368,393)(H,369,374)/t297-,298+,299+,300+,301+,302+,303+,304+,305+,306+,307+,308+,309+,310+,311+,312+,313+,314+,315+,316+,317+,318+/m1/s1
InChIKeyXFJWEUCUMRVHOQ-GILLHDMYSA-N
XLogP46.07
TPSA969.67 Ų
H-Bond Donors25
H-Bond Acceptors47
Rotatable Bonds157
Heavy Atoms415
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005559.59
LogP ≤ 546.07
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1047

Analyze (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-(2-azidoethoxy)ethylamino]-4-oxobutanoic acid;2-(1H-imidazol-5-yl)ethanol
CID 123894027
(3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-(2-azidoethoxy)ethylamino]-4-oxobutanoic acid;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-(2-azidoethoxy)ethylamino]-4-oxobutanoate
CID 158015737
(3S)-3-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid;(3S)-3-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoic acid;(3S)-3-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid;(3S)-3-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid;(3S)-3-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoic acid;(3S)-3-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoic acid
CID 159591541
(3S)-3-[[(2R)-2-[[(2S)-2-acetamido-4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid
CID 90967084
(3S)-3-[[(2R)-2-[[(2S)-2-acetamido-4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid;(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid
CID 162010899
2-[2-[[(3R)-3-acetamido-4-[[(2S)-4-[2-(2-azaniumylethylamino)ethylamino]-1-[[(2R)-1-[[(2S)-1-[2-(2-azidoethoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoyl]amino]ethylamino]ethylazanium;N'-(2-aminoethyl)ethane-1,2-diamine;benzyl (3R)-3-acetamido-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[2-(2-azidoethoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;dichloride
CID 159761442
(2S)-2-acetamido-N'-[2-(2-aminoethylamino)ethyl]-N-[(2R)-1-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-methyl-1-oxopentan-2-yl]butanediamide
CID 59561939
benzyl (3S)-3-acetamido-4-[[(2S)-1-[2-(2-azidoethoxy)ethylamino]-4-(2-morpholin-4-ylethylamino)-1,4-dioxobutan-2-yl]amino]-4-oxobutanoate
CID 59561930
2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione
CID 161060614
(3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-(2-ethoxyethoxy)ethylamino]-4-oxobutanoic acid
CID 59562014
2-[2-[[(3S)-3-[[(2R)-4-[2-(2-azaniumylethylamino)ethylamino]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[4-[1-[2-(2-azidoethoxy)ethyl]triazol-4-yl]butanoylamino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-(ethylamino)-4-oxobutanoyl]amino]ethylamino]ethylazanium
CID 91208014
(3S)-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-3-(methylamino)-4-oxobutanoic acid;(2S)-3-(4-hydroxyphenyl)-N-[(4R)-2-methyl-5-oxoheptan-4-yl]-2-(2-oxopropylamino)propanamide
CID 158973050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide?
The IUPAC name of (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide (CID 59562004) is (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide.
What is the SMILES notation for (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide?
The canonical SMILES for (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide is CC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)NCCc1c[nH]cn1)C(=O)NCCOCCN=[N+]=[N-].
What is the InChIKey of (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide?
The InChIKey is XFJWEUCUMRVHOQ-GILLHDMYSA-N. The full InChI is InChI=1S/C341H335N29O45/c1-234(2)190-297(321(374)369-318(320(373)345-186-188-395-189-187-347-370-342)211-319(372)344-185-184-276-212-343-233-346-276)349-323(376)299(192-237-106-146-278(147-107-237)397-214-257-66-26-5-27-67-257)351-325(378)301(194-239-110-150-280(151-111-239)399-216-259-70-30-7-31-71-259)353-327(380)303(196-241-114-154-282(155-115-241)401-218-261-74-34-9-35-75-261)355-329(382)305(198-243-118-158-284(159-119-243)403-220-263-78-38-11-39-79-263)357-331(384)307(200-245-122-162-286(163-123-245)405-222-265-82-42-13-43-83-265)359-333(386)309(202-247-126-166-288(167-127-247)407-224-267-86-46-15-47-87-267)361-335(388)311(204-249-130-170-290(171-131-249)409-226-269-90-50-17-51-91-269)363-337(390)313(206-251-134-174-292(175-135-251)411-228-271-94-54-19-55-95-271)365-339(392)315(208-253-138-178-294(179-139-253)413-230-273-98-58-21-59-99-273)367-341(394)317(210-255-142-182-296(183-143-255)415-232-275-102-62-23-63-103-275)368-340(393)316(209-254-140-180-295(181-141-254)414-231-274-100-60-22-61-101-274)366-338(391)314(207-252-136-176-293(177-137-252)412-229-272-96-56-20-57-97-272)364-336(389)312(205-250-132-172-291(173-133-250)410-227-270-92-52-18-53-93-270)362-334(387)310(203-248-128-168-289(169-129-248)408-225-268-88-48-16-49-89-268)360-332(385)308(201-246-124-164-287(165-125-246)406-223-266-84-44-14-45-85-266)358-330(383)306(199-244-120-160-285(161-121-244)404-221-264-80-40-12-41-81-264)356-328(381)304(197-242-116-156-283(157-117-242)402-219-262-76-36-10-37-77-262)354-326(379)302(195-240-112-152-281(153-113-240)400-217-260-72-32-8-33-73-260)352-324(377)300(193-238-108-148-279(149-109-238)398-215-258-68-28-6-29-69-258)350-322(375)298(348-235(3)371)191-236-104-144-277(145-105-236)396-213-256-64-24-4-25-65-256/h4-183,212,233-234,297-318H,184-211,213-232H2,1-3H3,(H,343,346)(H,344,372)(H,345,373)(H,348,371)(H,349,376)(H,350,375)(H,351,378)(H,352,377)(H,353,380)(H,354,379)(H,355,382)(H,356,381)(H,357,384)(H,358,383)(H,359,386)(H,360,385)(H,361,388)(H,362,387)(H,363,390)(H,364,389)(H,365,392)(H,366,391)(H,367,394)(H,368,393)(H,369,374)/t297-,298+,299+,300+,301+,302+,303+,304+,305+,306+,307+,308+,309+,310+,311+,312+,313+,314+,315+,316+,317+,318+/m1/s1.
What are the key properties of (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide?
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide has a molecular weight of 5559.59 g/mol, XLogP of 46.07, 157 rotatable bonds, 25 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-N-[2-(2-azidoethoxy)ethyl]-N'-[2-(1H-imidazol-4-yl)ethyl]butanediamide is sourced from PubChem (CID 59562004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).