tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate

C326H478N38O72 — CID 138962264

IUPACtert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate
SMILESCC(C)C(NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCNC(=O)C(NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1)C(C)C)NC(=O)CCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C326H478N38O72/c1-212(2)271(357-289(383)259(208-424-314(21,22)23)349-293(387)263-113-90-160-361(263)301(395)251(196-216-94-68-60-69-95-216)341-277(371)243(188-220-117-133-232(134-118-220)428-318(33,34)35)337-285(379)255(204-420-310(9,10)11)345-281(375)247(353-306(400)416-200-228-102-76-64-77-103-228)192-224-125-141-236(142-126-224)432-322(45,46)47)297(391)330-156-168-408-176-184-412-180-172-404-164-149-267(365)327-153-87-84-110-240(334-269(367)151-166-406-174-182-414-186-178-410-170-158-332-299(393)273(214(5)6)359-291(385)261(210-426-316(27,28)29)351-295(389)265-115-92-162-363(265)303(397)253(198-218-98-72-62-73-99-218)343-279(373)245(190-222-121-137-234(138-122-222)430-320(39,40)41)339-287(381)257(206-422-312(15,16)17)347-283(377)249(355-308(402)418-202-230-106-80-66-81-107-230)194-226-129-145-238(146-130-226)434-324(51,52)53)275(369)329-155-89-86-112-242(305(399)436-326(57,58)59)336-276(370)241(335-270(368)152-167-407-175-183-415-187-179-411-171-159-333-300(394)274(215(7)8)360-292(386)262(211-427-317(30,31)32)352-296(390)266-116-93-163-364(266)304(398)254(199-219-100-74-63-75-101-219)344-280(374)246(191-223-123-139-235(140-124-223)431-321(42,43)44)340-288(382)258(207-423-313(18,19)20)348-284(378)250(356-309(403)419-203-231-108-82-67-83-109-231)195-227-131-147-239(148-132-227)435-325(54,55)56)111-85-88-154-328-268(366)150-165-405-173-181-413-185-177-409-169-157-331-298(392)272(213(3)4)358-290(384)260(209-425-315(24,25)26)350-294(388)264-114-91-161-362(264)302(396)252(197-217-96-70-61-71-97-217)342-278(372)244(189-221-119-135-233(136-120-221)429-319(36,37)38)338-286(380)256(205-421-311(12,13)14)346-282(376)248(354-307(401)417-201-229-104-78-65-79-105-229)193-225-127-143-237(144-128-225)433-323(48,49)50/h60-83,94-109,117-148,212-215,240-266,271-274H,84-93,110-116,149-211H2,1-59H3,(H,327,365)(H,328,366)(H,329,369)(H,330,391)(H,331,392)(H,332,393)(H,333,394)(H,334,367)(H,335,368)(H,336,370)(H,337,379)(H,338,380)(H,339,381)(H,340,382)(H,341,371)(H,342,372)(H,343,373)(H,344,374)(H,345,375)(H,346,376)(H,347,377)(H,348,378)(H,349,387)(H,350,388)(H,351,389)(H,352,390)(H,353,400)(H,354,401)(H,355,402)(H,356,403)(H,357,383)(H,358,384)(H,359,385)(H,360,386)/t240-,241-,242-,243-,244-,245-,246-,247-,248-,249-,250-,251-,252-,253-,254-,255-,256-,257-,258-,259-,260-,261-,262-,263-,264-,265-,266-,271?,272?,273-,274-/m0/s1
InChIKeyRUHVDHPWUDQSOV-NLYVAGFGSA-N
MW6081.60 g/mol
LogP27.18
Rot. Bonds181

About tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate

tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate (PubChem CID 138962264) has the molecular formula C326H478N38O72 and a molecular weight of 6081.60 g/mol. Its IUPAC name is tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate
PubChem CID138962264
Molecular FormulaC326H478N38O72
Molecular Weight6081.60 g/mol
Exact Mass6077.49
IUPAC Nametert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate
SMILESCC(C)C(NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCNC(=O)C(NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1)C(C)C)NC(=O)CCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C326H478N38O72/c1-212(2)271(357-289(383)259(208-424-314(21,22)23)349-293(387)263-113-90-160-361(263)301(395)251(196-216-94-68-60-69-95-216)341-277(371)243(188-220-117-133-232(134-118-220)428-318(33,34)35)337-285(379)255(204-420-310(9,10)11)345-281(375)247(353-306(400)416-200-228-102-76-64-77-103-228)192-224-125-141-236(142-126-224)432-322(45,46)47)297(391)330-156-168-408-176-184-412-180-172-404-164-149-267(365)327-153-87-84-110-240(334-269(367)151-166-406-174-182-414-186-178-410-170-158-332-299(393)273(214(5)6)359-291(385)261(210-426-316(27,28)29)351-295(389)265-115-92-162-363(265)303(397)253(198-218-98-72-62-73-99-218)343-279(373)245(190-222-121-137-234(138-122-222)430-320(39,40)41)339-287(381)257(206-422-312(15,16)17)347-283(377)249(355-308(402)418-202-230-106-80-66-81-107-230)194-226-129-145-238(146-130-226)434-324(51,52)53)275(369)329-155-89-86-112-242(305(399)436-326(57,58)59)336-276(370)241(335-270(368)152-167-407-175-183-415-187-179-411-171-159-333-300(394)274(215(7)8)360-292(386)262(211-427-317(30,31)32)352-296(390)266-116-93-163-364(266)304(398)254(199-219-100-74-63-75-101-219)344-280(374)246(191-223-123-139-235(140-124-223)431-321(42,43)44)340-288(382)258(207-423-313(18,19)20)348-284(378)250(356-309(403)419-203-231-108-82-67-83-109-231)195-227-131-147-239(148-132-227)435-325(54,55)56)111-85-88-154-328-268(366)150-165-405-173-181-413-185-177-409-169-157-331-298(392)272(213(3)4)358-290(384)260(209-425-315(24,25)26)350-294(388)264-114-91-161-362(264)302(396)252(197-217-96-70-61-71-97-217)342-278(372)244(189-221-119-135-233(136-120-221)429-319(36,37)38)338-286(380)256(205-421-311(12,13)14)346-282(376)248(354-307(401)417-201-229-104-78-65-79-105-229)193-225-127-143-237(144-128-225)433-323(48,49)50/h60-83,94-109,117-148,212-215,240-266,271-274H,84-93,110-116,149-211H2,1-59H3,(H,327,365)(H,328,366)(H,329,369)(H,330,391)(H,331,392)(H,332,393)(H,333,394)(H,334,367)(H,335,368)(H,336,370)(H,337,379)(H,338,380)(H,339,381)(H,340,382)(H,341,371)(H,342,372)(H,343,373)(H,344,374)(H,345,375)(H,346,376)(H,347,377)(H,348,378)(H,349,387)(H,350,388)(H,351,389)(H,352,390)(H,353,400)(H,354,401)(H,355,402)(H,356,403)(H,357,383)(H,358,384)(H,359,385)(H,360,386)/t240-,241-,242-,243-,244-,245-,246-,247-,248-,249-,250-,251-,252-,253-,254-,255-,256-,257-,258-,259-,260-,261-,262-,263-,264-,265-,266-,271?,272?,273-,274-/m0/s1
InChIKeyRUHVDHPWUDQSOV-NLYVAGFGSA-N
XLogP27.18
TPSA1392.30 Ų
H-Bond Donors34
H-Bond Acceptors72
Rotatable Bonds181
Heavy Atoms436
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006081.60
LogP ≤ 527.18
H-Bond Donors ≤ 534
H-Bond Acceptors ≤ 1072

Analyze tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate with MolForge

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Related Compounds

(2S)-2-[[(6S,9R,15S,18S)-6-(4-aminobutyl)-9-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-2,5,8,17-tetraoxo-1,4,7,16-tetrazabicyclo[16.3.0]henicos-11-ene-15-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 155513131
methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[methyl-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]-methylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxylate
CID 168283411
cyclo[Leu-D-Tyr(Bn)-Pro-Val-D-Orn-Leu-D-Tyr(Bn)-Pro-Val-Orn]
CID 155510351
Methyl 2-[2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-benzyloxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoate
CID 381826
Methyl 2-[[2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-benzyloxyphenyl)propanoyl]amino]acetyl]amino]-4-methyl-pentanoate
CID 381827
tert-butyl N-[1-(benzyloxymethyl)-2-[[1-[(4-benzyloxyphenyl)methyl]-2-[[1-methyl-2-[[3-methyl-1-(methylcarbamoyl)butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamate
CID 381828
benzyl (3aR,6S,6aR)-1-[(2S,3R)-3-[2-[(2R,3S)-4-[(3aR,6S,6aR)-6-[(3,4-difluorophenoxy)methyl]-4-phenylmethoxycarbonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxobutan-2-yl]oxyethoxy]-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-6-[(3,4-difluorophenoxy)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate
CID 88488511
(2,3,5,6-Tetrafluorophenyl) 2-[3-[2-[2-[2-[2-[[2-[3-[2-[2-[2-[2-[[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
CID 117937694
acetyl acetate;2-(2-azidoethoxy)ethylazanium;(4R)-4-benzyl-1,3-oxazolidine-2,5-dione;tert-butyl (3S)-3-[[(2S)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-[2-(2-azidoethoxy)ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione;2,2,2-trifluoroacetate
CID 157206548
(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,10S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-10-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 157336198
(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-phenylpropanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide;(2S)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-phenyl-2-[(2-phenylacetyl)amino]propanamide
CID 159499951
(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 159850477

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate?
The IUPAC name of tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate (CID 138962264) is tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate.
What is the SMILES notation for tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate?
The canonical SMILES for tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate is CC(C)C(NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCNC(=O)C(NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1)C(C)C)NC(=O)CCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate?
The InChIKey is RUHVDHPWUDQSOV-NLYVAGFGSA-N. The full InChI is InChI=1S/C326H478N38O72/c1-212(2)271(357-289(383)259(208-424-314(21,22)23)349-293(387)263-113-90-160-361(263)301(395)251(196-216-94-68-60-69-95-216)341-277(371)243(188-220-117-133-232(134-118-220)428-318(33,34)35)337-285(379)255(204-420-310(9,10)11)345-281(375)247(353-306(400)416-200-228-102-76-64-77-103-228)192-224-125-141-236(142-126-224)432-322(45,46)47)297(391)330-156-168-408-176-184-412-180-172-404-164-149-267(365)327-153-87-84-110-240(334-269(367)151-166-406-174-182-414-186-178-410-170-158-332-299(393)273(214(5)6)359-291(385)261(210-426-316(27,28)29)351-295(389)265-115-92-162-363(265)303(397)253(198-218-98-72-62-73-99-218)343-279(373)245(190-222-121-137-234(138-122-222)430-320(39,40)41)339-287(381)257(206-422-312(15,16)17)347-283(377)249(355-308(402)418-202-230-106-80-66-81-107-230)194-226-129-145-238(146-130-226)434-324(51,52)53)275(369)329-155-89-86-112-242(305(399)436-326(57,58)59)336-276(370)241(335-270(368)152-167-407-175-183-415-187-179-411-171-159-333-300(394)274(215(7)8)360-292(386)262(211-427-317(30,31)32)352-296(390)266-116-93-163-364(266)304(398)254(199-219-100-74-63-75-101-219)344-280(374)246(191-223-123-139-235(140-124-223)431-321(42,43)44)340-288(382)258(207-423-313(18,19)20)348-284(378)250(356-309(403)419-203-231-108-82-67-83-109-231)195-227-131-147-239(148-132-227)435-325(54,55)56)111-85-88-154-328-268(366)150-165-405-173-181-413-185-177-409-169-157-331-298(392)272(213(3)4)358-290(384)260(209-425-315(24,25)26)350-294(388)264-114-91-161-362(264)302(396)252(197-217-96-70-61-71-97-217)342-278(372)244(189-221-119-135-233(136-120-221)429-319(36,37)38)338-286(380)256(205-421-311(12,13)14)346-282(376)248(354-307(401)417-201-229-104-78-65-79-105-229)193-225-127-143-237(144-128-225)433-323(48,49)50/h60-83,94-109,117-148,212-215,240-266,271-274H,84-93,110-116,149-211H2,1-59H3,(H,327,365)(H,328,366)(H,329,369)(H,330,391)(H,331,392)(H,332,393)(H,333,394)(H,334,367)(H,335,368)(H,336,370)(H,337,379)(H,338,380)(H,339,381)(H,340,382)(H,341,371)(H,342,372)(H,343,373)(H,344,374)(H,345,375)(H,346,376)(H,347,377)(H,348,378)(H,349,387)(H,350,388)(H,351,389)(H,352,390)(H,353,400)(H,354,401)(H,355,402)(H,356,403)(H,357,383)(H,358,384)(H,359,385)(H,360,386)/t240-,241-,242-,243-,244-,245-,246-,247-,248-,249-,250-,251-,252-,253-,254-,255-,256-,257-,258-,259-,260-,261-,262-,263-,264-,265-,266-,271?,272?,273-,274-/m0/s1.
What are the key properties of tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate?
tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate has a molecular weight of 6081.60 g/mol, XLogP of 27.18, 181 rotatable bonds, 34 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2,6-bis[[(2S)-2-[3-[2-[2-[2-[[(2S)-3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[3-[2-[2-[2-[[3-methyl-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoate is sourced from PubChem (CID 138962264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).