5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide)

C216H259N31O58S6 — CID 162023624

IUPAC5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide)
SMILESNC(=O)[C@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc1)CC(=O)CNC(=O)[C@H](CS)NC(=O)CCCC(=O)NCCCC[C@H](NC(=O)CCCC(=O)N[C@@H](CS)C(=O)CCC(=O)N[C@@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc1)C(N)=O)C(=O)CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)[C@H](CCCCNC(=O)CCCC(=O)N[C@@H](CS)C(=O)NCC(=O)C[C@@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O)NC(=O)CCCC(=O)N[C@@H](CS)C(=O)NCC(=O)C[C@@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O)C(=O)NCCCCC(CC(=O)CNC(=O)[C@@H](N)CS)C(=O)NCC(=O)C[C@@H](CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)C[C@@H](Cc1ccc(O)cc1)C(N)=O.O=C=O.O=C=O
InChIInChI=1S/C214H259N31O54S6.2CO2/c215-157(112-300)206(285)231-107-144(259)94-127(205(284)230-106-140(255)90-123(169(262)97-130(199(219)278)89-118-44-56-131(246)57-45-118)25-3-12-80-221-179(263)35-2-1-34-178-195-166(117-305-178)244-214(295)245-195)29-7-16-88-229-207(286)160(239-189(273)78-76-167(260)158(236-182(266)40-23-42-184(268)240-162(113-301)168(261)77-79-188(272)237-159(200(220)279)31-9-20-87-226-202(281)122-52-48-120(49-53-122)192-149-70-60-134(249)100-172(149)297-173-101-135(250)61-71-150(173)192)30-8-17-81-222-180(264)36-21-38-185(269)241-163(114-302)209(288)232-108-141(256)91-124(196(216)275)26-4-13-84-225-201(280)121-50-46-119(47-51-121)191-147-68-58-132(247)98-170(147)296-171-99-133(248)59-69-148(171)191)32-11-19-83-224-190(274)111-235-208(287)161(238-183(267)41-24-43-187(271)243-165(116-304)211(290)234-110-143(258)93-126(198(218)277)28-6-15-86-228-204(283)129-55-67-146(156(96-129)213(293)294)194-153-74-64-138(253)104-176(153)299-177-105-139(254)65-75-154(177)194)33-10-18-82-223-181(265)37-22-39-186(270)242-164(115-303)210(289)233-109-142(257)92-125(197(217)276)27-5-14-85-227-203(282)128-54-66-145(155(95-128)212(291)292)193-151-72-62-136(251)102-174(151)298-175-103-137(252)63-73-152(175)193;2*2-1-3/h44-75,95-96,98-105,123-127,130,157-166,178,195,246-247,249,251,253,300-304H,1-43,76-94,97,106-117,215H2,(H2,216,275)(H2,217,276)(H2,218,277)(H2,219,278)(H2,220,279)(H,221,263)(H,222,264)(H,223,265)(H,224,274)(H,225,280)(H,226,281)(H,227,282)(H,228,283)(H,229,286)(H,230,284)(H,231,285)(H,232,288)(H,233,289)(H,234,290)(H,235,287)(H,236,266)(H,237,272)(H,238,267)(H,239,273)(H,240,268)(H,241,269)(H,242,270)(H,243,271)(H,291,292)(H,293,294)(H2,244,245,295);;/t123-,124-,125-,126-,127?,130-,157+,158+,159+,160+,161+,162+,163+,164+,165+,166?,178?,195?;;/m1../s1
InChIKeyYVBPPPZJXVIWEZ-WOKXNRDCSA-N
MW4410.01 g/mol
LogP9.87
Rot. Bonds136

About 5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide)

5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide) (PubChem CID 162023624) has the molecular formula C216H259N31O58S6 and a molecular weight of 4410.01 g/mol. Its IUPAC name is 5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide).

Molecular Properties

Compound Name5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide)
PubChem CID162023624
Molecular FormulaC216H259N31O58S6
Molecular Weight4410.01 g/mol
Exact Mass4406.66
IUPAC Name5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide)
SMILESNC(=O)[C@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc1)CC(=O)CNC(=O)[C@H](CS)NC(=O)CCCC(=O)NCCCC[C@H](NC(=O)CCCC(=O)N[C@@H](CS)C(=O)CCC(=O)N[C@@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc1)C(N)=O)C(=O)CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)[C@H](CCCCNC(=O)CCCC(=O)N[C@@H](CS)C(=O)NCC(=O)C[C@@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O)NC(=O)CCCC(=O)N[C@@H](CS)C(=O)NCC(=O)C[C@@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O)C(=O)NCCCCC(CC(=O)CNC(=O)[C@@H](N)CS)C(=O)NCC(=O)C[C@@H](CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)C[C@@H](Cc1ccc(O)cc1)C(N)=O.O=C=O.O=C=O
InChIInChI=1S/C214H259N31O54S6.2CO2/c215-157(112-300)206(285)231-107-144(259)94-127(205(284)230-106-140(255)90-123(169(262)97-130(199(219)278)89-118-44-56-131(246)57-45-118)25-3-12-80-221-179(263)35-2-1-34-178-195-166(117-305-178)244-214(295)245-195)29-7-16-88-229-207(286)160(239-189(273)78-76-167(260)158(236-182(266)40-23-42-184(268)240-162(113-301)168(261)77-79-188(272)237-159(200(220)279)31-9-20-87-226-202(281)122-52-48-120(49-53-122)192-149-70-60-134(249)100-172(149)297-173-101-135(250)61-71-150(173)192)30-8-17-81-222-180(264)36-21-38-185(269)241-163(114-302)209(288)232-108-141(256)91-124(196(216)275)26-4-13-84-225-201(280)121-50-46-119(47-51-121)191-147-68-58-132(247)98-170(147)296-171-99-133(248)59-69-148(171)191)32-11-19-83-224-190(274)111-235-208(287)161(238-183(267)41-24-43-187(271)243-165(116-304)211(290)234-110-143(258)93-126(198(218)277)28-6-15-86-228-204(283)129-55-67-146(156(96-129)213(293)294)194-153-74-64-138(253)104-176(153)299-177-105-139(254)65-75-154(177)194)33-10-18-82-223-181(265)37-22-39-186(270)242-164(115-303)210(289)233-109-142(257)92-125(197(217)276)27-5-14-85-227-203(282)128-54-66-145(155(95-128)212(291)292)193-151-72-62-136(251)102-174(151)298-175-103-137(252)63-73-152(175)193;2*2-1-3/h44-75,95-96,98-105,123-127,130,157-166,178,195,246-247,249,251,253,300-304H,1-43,76-94,97,106-117,215H2,(H2,216,275)(H2,217,276)(H2,218,277)(H2,219,278)(H2,220,279)(H,221,263)(H,222,264)(H,223,265)(H,224,274)(H,225,280)(H,226,281)(H,227,282)(H,228,283)(H,229,286)(H,230,284)(H,231,285)(H,232,288)(H,233,289)(H,234,290)(H,235,287)(H,236,266)(H,237,272)(H,238,267)(H,239,273)(H,240,268)(H,241,269)(H,242,270)(H,243,271)(H,291,292)(H,293,294)(H2,244,245,295);;/t123-,124-,125-,126-,127?,130-,157+,158+,159+,160+,161+,162+,163+,164+,165+,166?,178?,195?;;/m1../s1
InChIKeyYVBPPPZJXVIWEZ-WOKXNRDCSA-N
XLogP9.87
TPSA1453.33 Ų
H-Bond Donors43
H-Bond Acceptors63
Rotatable Bonds136
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004410.01
LogP ≤ 59.87
H-Bond Donors ≤ 543
H-Bond Acceptors ≤ 1063

Analyze 5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide) with MolForge

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Launch Full Analysis

Related Compounds

[9-[4-[[(5S)-6-[[2-[1-[4-[4-[2-[2-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-6-[5-[(4R)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethylamino]-2-oxoethyl]amino]-5-[[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetyl]amino]-6-oxohexyl]carbamoyl]-2-carboxyphenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
CID 58661360
5-[2-[3-[[1-amino-6-(methylamino)-1-oxohexan-2-yl]amino]-3-oxopropoxy]ethylcarbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
CID 153290907
5-[[(5S)-6-[[2-[1-[4-[4-[2-[2-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-6-[5-[(4R)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethylamino]-2-oxoethyl]amino]-5-[[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetyl]amino]-6-oxohexyl]carbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
CID 58661359
5-[5-[[2-amino-7-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]heptanoyl]amino]pentylcarbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
CID 177498845
5-[2-[2-[3-[[1-amino-6-(methylamino)-1-oxohexan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
CID 153290906
N-[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-(4-aminobutyl)-N'-hydroxybutanediamide
CID 16735011
N-[(2S)-1-[[2-[[(2S)-6-acetamido-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-8-[4-(3-hydroxy-6-oxoxanthen-9-yl)phenyl]-8-oxooctanamide
CID 158494896
(4S)-5-[[2-[[2-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-[[(2S)-2-[[2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid
CID 11629393
2-(3-hydroxy-6-oxoxanthen-9-yl)-5-[[6-[[4-methyl-1-[[2-[[1-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-6-[(2,2,2-trifluoroacetyl)amino]hexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyl]benzoic acid
CID 78110754
(3S)-4-[[(2S)-1-[[2-[[2-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[[2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 11513532
N-[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 11679603
N-[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-amino-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 11629382

Frequently Asked Questions

What is the IUPAC name of 5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide)?
The IUPAC name of 5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide) (CID 162023624) is 5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide).
What is the SMILES notation for 5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide)?
The canonical SMILES for 5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide) is NC(=O)[C@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc1)CC(=O)CNC(=O)[C@H](CS)NC(=O)CCCC(=O)NCCCC[C@H](NC(=O)CCCC(=O)N[C@@H](CS)C(=O)CCC(=O)N[C@@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc1)C(N)=O)C(=O)CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)[C@H](CCCCNC(=O)CCCC(=O)N[C@@H](CS)C(=O)NCC(=O)C[C@@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O)NC(=O)CCCC(=O)N[C@@H](CS)C(=O)NCC(=O)C[C@@H](CCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O)C(=O)NCCCCC(CC(=O)CNC(=O)[C@@H](N)CS)C(=O)NCC(=O)C[C@@H](CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)C[C@@H](Cc1ccc(O)cc1)C(N)=O.O=C=O.O=C=O.
What is the InChIKey of 5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide)?
The InChIKey is YVBPPPZJXVIWEZ-WOKXNRDCSA-N. The full InChI is InChI=1S/C214H259N31O54S6.2CO2/c215-157(112-300)206(285)231-107-144(259)94-127(205(284)230-106-140(255)90-123(169(262)97-130(199(219)278)89-118-44-56-131(246)57-45-118)25-3-12-80-221-179(263)35-2-1-34-178-195-166(117-305-178)244-214(295)245-195)29-7-16-88-229-207(286)160(239-189(273)78-76-167(260)158(236-182(266)40-23-42-184(268)240-162(113-301)168(261)77-79-188(272)237-159(200(220)279)31-9-20-87-226-202(281)122-52-48-120(49-53-122)192-149-70-60-134(249)100-172(149)297-173-101-135(250)61-71-150(173)192)30-8-17-81-222-180(264)36-21-38-185(269)241-163(114-302)209(288)232-108-141(256)91-124(196(216)275)26-4-13-84-225-201(280)121-50-46-119(47-51-121)191-147-68-58-132(247)98-170(147)296-171-99-133(248)59-69-148(171)191)32-11-19-83-224-190(274)111-235-208(287)161(238-183(267)41-24-43-187(271)243-165(116-304)211(290)234-110-143(258)93-126(198(218)277)28-6-15-86-228-204(283)129-55-67-146(156(96-129)213(293)294)194-153-74-64-138(253)104-176(153)299-177-105-139(254)65-75-154(177)194)33-10-18-82-223-181(265)37-22-39-186(270)242-164(115-303)210(289)233-109-142(257)92-125(197(217)276)27-5-14-85-227-203(282)128-54-66-145(155(95-128)212(291)292)193-151-72-62-136(251)102-174(151)298-175-103-137(252)63-73-152(175)193;2*2-1-3/h44-75,95-96,98-105,123-127,130,157-166,178,195,246-247,249,251,253,300-304H,1-43,76-94,97,106-117,215H2,(H2,216,275)(H2,217,276)(H2,218,277)(H2,219,278)(H2,220,279)(H,221,263)(H,222,264)(H,223,265)(H,224,274)(H,225,280)(H,226,281)(H,227,282)(H,228,283)(H,229,286)(H,230,284)(H,231,285)(H,232,288)(H,233,289)(H,234,290)(H,235,287)(H,236,266)(H,237,272)(H,238,267)(H,239,273)(H,240,268)(H,241,269)(H,242,270)(H,243,271)(H,291,292)(H,293,294)(H2,244,245,295);;/t123-,124-,125-,126-,127?,130-,157+,158+,159+,160+,161+,162+,163+,164+,165+,166?,178?,195?;;/m1../s1.
What are the key properties of 5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide)?
5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide) has a molecular weight of 4410.01 g/mol, XLogP of 9.87, 136 rotatable bonds, 43 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5R)-8-[[(2R)-2-[[5-[[(5S)-6-[[2-[[(5S)-5-[[(5S)-5-[[5-[[(2R)-6-[[(2S)-1-amino-6-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-1-oxohexan-2-yl]amino]-3,6-dioxo-1-sulfanylhexan-2-yl]amino]-5-oxopentanoyl]amino]-9-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-4-oxononanoyl]amino]-6-[[5-[[(4R,7R)-8-amino-7-[(4-hydroxyphenyl)methyl]-2,5,8-trioxo-4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]butyl]octyl]carbamoyl]-8-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-7-oxooctyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-5-[[5-[[(2R)-1-[[(4R)-4-carbamoyl-8-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)benzoyl]amino]-2-oxooctyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamoyl-7-oxooctyl]carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;bis(carbon dioxide) is sourced from PubChem (CID 162023624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).