5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid

C165H221N29O43S2 — CID 159778944

About 5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid

5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid (PubChem CID 159778944) has the molecular formula C165H221N29O43S2 and a molecular weight of 3362.88 g/mol. Its IUPAC name is 5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid
• PubChem CID: 159778944
• Molecular Formula: C165H221N29O43S2
• Molecular Weight: 3362.88 g/mol
• Exact Mass: 3360.54
• IUPAC Name: 5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid
• SMILES: CC(C)CC(NC(=O)C1CSSCC(CC(=O)C(Cc2c[nH]cn2)NC(=O)C(CC(=O)C(CCCCNC(=O)CNC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC(=O)CNC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CC2)Cc2c[nH]c3ccccc23)C(=O)CC(C(C)O)C(=O)CC(C(C)O)C(=O)CC(CCCCNC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)CC(Cc2ccccc2)C(=O)N2CCCC2C(=O)NC(Cc2c[nH]cn2)C(=O)NC(Cc2c[nH]cn2)C(=O)NC(Cc2ccc(O)cc2)C(=O)N1)C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(N)=O
• InChI: InChI=1S/C165H221N29O43S2/c1-100(2)66-126(142(205)75-111(67-104-29-35-119(197)36-30-104)155(224)180-128(154(166)223)69-105-27-33-108(34-28-105)107-20-9-6-10-21-107)179-160(229)132-96-239-238-95-115(77-143(206)127(78-116-84-167-97-175-116)178-156(225)112(71-114-83-172-125-25-12-11-24-122(114)125)74-137(200)109(72-121(199)87-173-145(208)43-40-135(164(234)235)192-62-56-187(91-150(215)216)50-51-188(57-63-192)92-151(217)218)22-13-16-46-171-147(210)88-174-146(209)44-41-136(165(236)237)193-64-58-189(93-152(219)220)52-53-190(59-65-193)94-153(221)222)139(202)81-123(101(3)195)141(204)82-124(102(4)196)140(203)73-110(23-14-15-45-170-144(207)42-39-134(163(232)233)191-60-54-185(89-148(211)212)48-49-186(55-61-191)90-149(213)214)138(201)76-113(68-103-18-7-5-8-19-103)162(231)194-47-17-26-133(194)161(230)183-131(80-118-86-169-99-177-118)159(228)182-130(79-117-85-168-98-176-117)158(227)181-129(157(226)184-132)70-106-31-37-120(198)38-32-106/h5-12,18-21,24-25,27-38,83-86,97-102,109-113,115,123-124,126-136,172,195-198H,13-17,22-23,26,39-82,87-96H2,1-4H3,(H2,166,223)(H,167,175)(H,168,176)(H,169,177)(H,170,207)(H,171,210)(H,173,208)(H,174,209)(H,178,225)(H,179,229)(H,180,224)(H,181,227)(H,182,228)(H,183,230)(H,184,226)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,232,233)(H,234,235)(H,236,237)
• InChIKey: NHCMTGNHMUOGOF-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 1067.67 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 48
• Rotatable Bonds: 80
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3362.88
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid?

The IUPAC name of 5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid (CID 159778944) is 5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid.

What is the SMILES notation for 5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid?

The canonical SMILES for 5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid is CC(C)CC(NC(=O)C1CSSCC(CC(=O)C(Cc2c[nH]cn2)NC(=O)C(CC(=O)C(CCCCNC(=O)CNC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC(=O)CNC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CC2)Cc2c[nH]c3ccccc23)C(=O)CC(C(C)O)C(=O)CC(C(C)O)C(=O)CC(CCCCNC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)CC(Cc2ccccc2)C(=O)N2CCCC2C(=O)NC(Cc2c[nH]cn2)C(=O)NC(Cc2c[nH]cn2)C(=O)NC(Cc2ccc(O)cc2)C(=O)N1)C(=O)CC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(N)=O.

What is the InChIKey of 5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid?

The InChIKey is NHCMTGNHMUOGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C165H221N29O43S2/c1-100(2)66-126(142(205)75-111(67-104-29-35-119(197)36-30-104)155(224)180-128(154(166)223)69-105-27-33-108(34-28-105)107-20-9-6-10-21-107)179-160(229)132-96-239-238-95-115(77-143(206)127(78-116-84-167-97-175-116)178-156(225)112(71-114-83-172-125-25-12-11-24-122(114)125)74-137(200)109(72-121(199)87-173-145(208)43-40-135(164(234)235)192-62-56-187(91-150(215)216)50-51-188(57-63-192)92-151(217)218)22-13-16-46-171-147(210)88-174-146(209)44-41-136(165(236)237)193-64-58-189(93-152(219)220)52-53-190(59-65-193)94-153(221)222)139(202)81-123(101(3)195)141(204)82-124(102(4)196)140(203)73-110(23-14-15-45-170-144(207)42-39-134(163(232)233)191-60-54-185(89-148(211)212)48-49-186(55-61-191)90-149(213)214)138(201)76-113(68-103-18-7-5-8-19-103)162(231)194-47-17-26-133(194)161(230)183-131(80-118-86-169-99-177-118)159(228)182-130(79-117-85-168-98-176-117)158(227)181-129(157(226)184-132)70-106-31-37-120(198)38-32-106/h5-12,18-21,24-25,27-38,83-86,97-102,109-113,115,123-124,126-136,172,195-198H,13-17,22-23,26,39-82,87-96H2,1-4H3,(H2,166,223)(H,167,175)(H,168,176)(H,169,177)(H,170,207)(H,171,210)(H,173,208)(H,174,209)(H,178,225)(H,179,229)(H,180,224)(H,181,227)(H,182,228)(H,183,230)(H,184,226)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,232,233)(H,234,235)(H,236,237).

What are the key properties of 5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid?

5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid has a molecular weight of 3362.88 g/mol, XLogP of 2.10, 80 rotatable bonds, 29 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[20-[[8-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-7-[(4-hydroxyphenyl)methyl]-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]-3-benzyl-15-[3-[[9-[[2-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]acetyl]amino]-5-[3-[[4-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-4-carboxybutanoyl]amino]-2-oxopropyl]-2-(1H-indol-3-ylmethyl)-4-oxononanoyl]amino]-4-(1H-imidazol-4-yl)-2-oxobutyl]-9,12-bis(1-hydroxyethyl)-23-[(4-hydroxyphenyl)methyl]-26,29-bis(1H-imidazol-4-ylmethyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,21,24,27,30-pentazabicyclo[30.3.0]pentatriacontan-6-yl]butylamino]-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 159778944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).