(2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid

C110H151N25O22S5 — CID 167250646

IUPAC(2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid
SMILESCCCN(CC(N)=O)C(Cc1ccc(/N=C/C(=S)NCCN(CCNC(=S)Nc2ccc(CC3CN(CC(=O)O)CCN(CC(=O)O)CCN3CC(=O)O)cc2)C(=O)Cc2ccc(NC(=S)N[C@H](Cc3ccccc3)C(=O)NC3CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc4ccccc4)CC3=O)cc2)cc1)CN(CCN(CCCCC(N)=O)CC(N)=O)CC(N)=O
InChIInChI=1S/C110H151N25O22S5/c1-4-40-134(63-94(115)142)81(59-131(62-93(114)141)46-44-129(61-92(113)140)41-16-14-24-91(112)139)51-73-25-31-78(32-26-73)118-58-95(158)116-38-42-133(43-39-117-109(159)120-79-33-27-74(28-34-79)52-82-60-132(65-98(146)147)47-45-130(64-97(144)145)48-49-135(82)66-99(148)149)96(143)54-75-29-35-80(36-30-75)121-110(160)126-86(53-72-19-9-6-10-20-72)104(152)124-88-67-161-162-68-89(106(154)128-101(70(3)137)108(156)157)125-107(155)100(69(2)136)127-103(151)85(23-13-15-37-111)122-105(153)87(55-77-57-119-84-22-12-11-21-83(77)84)123-102(150)76(56-90(88)138)50-71-17-7-5-8-18-71/h5-12,17-22,25-36,57-58,69-70,76,81-82,85-89,100-101,119,136-137H,4,13-16,23-24,37-56,59-68,111H2,1-3H3,(H2,112,139)(H2,113,140)(H2,114,141)(H2,115,142)(H,116,158)(H,122,153)(H,123,150)(H,124,152)(H,125,155)(H,127,151)(H,128,154)(H,144,145)(H,146,147)(H,148,149)(H,156,157)(H2,117,120,159)(H2,121,126,160)/b118-58+/t69?,70-,76-,81?,82?,85+,86-,87-,88?,89+,100+,101+/m1/s1
InChIKeyHMEQTUSMZCHNCV-OGLKPXKCSA-N
MW2335.91 g/mol
LogP0.51
Rot. Bonds59

About (2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid

(2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid (PubChem CID 167250646) has the molecular formula C110H151N25O22S5 and a molecular weight of 2335.91 g/mol. Its IUPAC name is (2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid
PubChem CID167250646
Molecular FormulaC110H151N25O22S5
Molecular Weight2335.91 g/mol
Exact Mass2334.01
IUPAC Name(2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid
SMILESCCCN(CC(N)=O)C(Cc1ccc(/N=C/C(=S)NCCN(CCNC(=S)Nc2ccc(CC3CN(CC(=O)O)CCN(CC(=O)O)CCN3CC(=O)O)cc2)C(=O)Cc2ccc(NC(=S)N[C@H](Cc3ccccc3)C(=O)NC3CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc4ccccc4)CC3=O)cc2)cc1)CN(CCN(CCCCC(N)=O)CC(N)=O)CC(N)=O
InChIInChI=1S/C110H151N25O22S5/c1-4-40-134(63-94(115)142)81(59-131(62-93(114)141)46-44-129(61-92(113)140)41-16-14-24-91(112)139)51-73-25-31-78(32-26-73)118-58-95(158)116-38-42-133(43-39-117-109(159)120-79-33-27-74(28-34-79)52-82-60-132(65-98(146)147)47-45-130(64-97(144)145)48-49-135(82)66-99(148)149)96(143)54-75-29-35-80(36-30-75)121-110(160)126-86(53-72-19-9-6-10-20-72)104(152)124-88-67-161-162-68-89(106(154)128-101(70(3)137)108(156)157)125-107(155)100(69(2)136)127-103(151)85(23-13-15-37-111)122-105(153)87(55-77-57-119-84-22-12-11-21-83(77)84)123-102(150)76(56-90(88)138)50-71-17-7-5-8-18-71/h5-12,17-22,25-36,57-58,69-70,76,81-82,85-89,100-101,119,136-137H,4,13-16,23-24,37-56,59-68,111H2,1-3H3,(H2,112,139)(H2,113,140)(H2,114,141)(H2,115,142)(H,116,158)(H,122,153)(H,123,150)(H,124,152)(H,125,155)(H,127,151)(H,128,154)(H,144,145)(H,146,147)(H,148,149)(H,156,157)(H2,117,120,159)(H2,121,126,160)/b118-58+/t69?,70-,76-,81?,82?,85+,86-,87-,88?,89+,100+,101+/m1/s1
InChIKeyHMEQTUSMZCHNCV-OGLKPXKCSA-N
XLogP0.51
TPSA707.76 Ų
H-Bond Donors23
H-Bond Acceptors31
Rotatable Bonds59
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002335.91
LogP ≤ 50.51
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid (CID 167250646) is (2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid is CCCN(CC(N)=O)C(Cc1ccc(/N=C/C(=S)NCCN(CCNC(=S)Nc2ccc(CC3CN(CC(=O)O)CCN(CC(=O)O)CCN3CC(=O)O)cc2)C(=O)Cc2ccc(NC(=S)N[C@H](Cc3ccccc3)C(=O)NC3CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc4ccccc4)CC3=O)cc2)cc1)CN(CCN(CCCCC(N)=O)CC(N)=O)CC(N)=O.
What is the InChIKey of (2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid?
The InChIKey is HMEQTUSMZCHNCV-OGLKPXKCSA-N. The full InChI is InChI=1S/C110H151N25O22S5/c1-4-40-134(63-94(115)142)81(59-131(62-93(114)141)46-44-129(61-92(113)140)41-16-14-24-91(112)139)51-73-25-31-78(32-26-73)118-58-95(158)116-38-42-133(43-39-117-109(159)120-79-33-27-74(28-34-79)52-82-60-132(65-98(146)147)47-45-130(64-97(144)145)48-49-135(82)66-99(148)149)96(143)54-75-29-35-80(36-30-75)121-110(160)126-86(53-72-19-9-6-10-20-72)104(152)124-88-67-161-162-68-89(106(154)128-101(70(3)137)108(156)157)125-107(155)100(69(2)136)127-103(151)85(23-13-15-37-111)122-105(153)87(55-77-57-119-84-22-12-11-21-83(77)84)123-102(150)76(56-90(88)138)50-71-17-7-5-8-18-71/h5-12,17-22,25-36,57-58,69-70,76,81-82,85-89,100-101,119,136-137H,4,13-16,23-24,37-56,59-68,111H2,1-3H3,(H2,112,139)(H2,113,140)(H2,114,141)(H2,115,142)(H,116,158)(H,122,153)(H,123,150)(H,124,152)(H,125,155)(H,127,151)(H,128,154)(H,144,145)(H,146,147)(H,148,149)(H,156,157)(H2,117,120,159)(H2,121,126,160)/b118-58+/t69?,70-,76-,81?,82?,85+,86-,87-,88?,89+,100+,101+/m1/s1.
What are the key properties of (2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid?
(2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid has a molecular weight of 2335.91 g/mol, XLogP of 0.51, 59 rotatable bonds, 23 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[[(4R,7S,10S,13R,16R)-10-(4-aminobutyl)-19-[[(2R)-2-[[4-[2-[2-[[2-[4-[3-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(5-amino-5-oxopentyl)amino]ethyl]amino]-2-[(2-amino-2-oxoethyl)-propylamino]propyl]phenyl]iminoethanethioyl]amino]ethyl-[2-[[4-[[1,4,7-tris(carboxymethyl)-1,4,7-triazonan-2-yl]methyl]phenyl]carbamothioylamino]ethyl]amino]-2-oxoethyl]phenyl]carbamothioylamino]-3-phenylpropanoyl]amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14-tetrazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 167250646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).