2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid

C66H85FN16O15S2 — CID 175756323

IUPAC2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid
SMILESCC(C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)c2ccccc2)C(C)CF)CSSC[C@@H](C(=O)N[C@@H](Cc2cccnc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CNC1=O
InChIInChI=1S/C66H85FN16O15S2/c1-36(2)53-64(97)73-33-51(85)83-26-12-19-50(83)63(96)77-45(27-38-13-6-4-7-14-38)58(91)80-49(62(95)75-44(55(68)88)29-40-15-10-24-71-32-40)35-100-99-34-48(61(94)74-43(18-11-25-72-66(69)70)57(90)76-47(30-52(86)87)60(93)81-53)79-59(92)46(28-39-20-22-42(84)23-21-39)78-65(98)54(37(3)31-67)82-56(89)41-16-8-5-9-17-41/h4-10,13-17,20-24,32,36-37,43-50,53-54,84H,11-12,18-19,25-31,33-35H2,1-3H3,(H2,68,88)(H,73,97)(H,74,94)(H,75,95)(H,76,90)(H,77,96)(H,78,98)(H,79,92)(H,80,91)(H,81,93)(H,82,89)(H,86,87)(H4,69,70,72)/t37?,43-,44-,45-,46-,47-,48-,49-,50-,53-,54+/m0/s1
InChIKeyNXPVKPUCEKNBQC-NEOHDBHNSA-N
MW1425.63 g/mol
LogP-1.73
Rot. Bonds24

About 2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid

2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid (PubChem CID 175756323) has the molecular formula C66H85FN16O15S2 and a molecular weight of 1425.63 g/mol. Its IUPAC name is 2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid.

Molecular Properties

Compound Name2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid
PubChem CID175756323
Molecular FormulaC66H85FN16O15S2
Molecular Weight1425.63 g/mol
Exact Mass1424.58
IUPAC Name2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid
SMILESCC(C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)c2ccccc2)C(C)CF)CSSC[C@@H](C(=O)N[C@@H](Cc2cccnc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CNC1=O
InChIInChI=1S/C66H85FN16O15S2/c1-36(2)53-64(97)73-33-51(85)83-26-12-19-50(83)63(96)77-45(27-38-13-6-4-7-14-38)58(91)80-49(62(95)75-44(55(68)88)29-40-15-10-24-71-32-40)35-100-99-34-48(61(94)74-43(18-11-25-72-66(69)70)57(90)76-47(30-52(86)87)60(93)81-53)79-59(92)46(28-39-20-22-42(84)23-21-39)78-65(98)54(37(3)31-67)82-56(89)41-16-8-5-9-17-41/h4-10,13-17,20-24,32,36-37,43-50,53-54,84H,11-12,18-19,25-31,33-35H2,1-3H3,(H2,68,88)(H,73,97)(H,74,94)(H,75,95)(H,76,90)(H,77,96)(H,78,98)(H,79,92)(H,80,91)(H,81,93)(H,82,89)(H,86,87)(H4,69,70,72)/t37?,43-,44-,45-,46-,47-,48-,49-,50-,53-,54+/m0/s1
InChIKeyNXPVKPUCEKNBQC-NEOHDBHNSA-N
XLogP-1.73
TPSA489.22 Ų
H-Bond Donors15
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001425.63
LogP ≤ 5-1.73
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1018

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': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid with MolForge

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Related Compounds

24-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3,12-bis[3-(diaminomethylideneamino)propyl]-6-[(4-hydroxyphenyl)methyl]-18-(2-methylpropyl)-21-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,31-nonaoxo-9-propan-2-yl-26,27-dithia-1,4,7,10,13,16,19,22,30-nonazabicyclo[30.3.0]pentatriacontane-29-carboxamide
CID 57340379
(2S)-2-[[(3R,6S,9R,14R,17S,20S)-3-(4-aminobutyl)-9-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-[3-(diaminomethylideneamino)propyl]-17-[(4-hydroxyphenyl)methyl]-2,5,8,16,19-pentaoxo-11,12-dithia-1,4,7,15,18-pentazabicyclo[18.3.0]tricosane-14-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 25080240
2-[8-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-29-butan-2-yl-26-(hydroxymethyl)-23,32-bis[(4-hydroxyphenyl)methyl]-35-(2-methylpropyl)-2,10,13,19,22,25,28,31,34,37-decaoxo-11-propan-2-yl-5,6-dithia-1,9,12,18,21,24,27,30,33,36-decazatricyclo[36.3.0.014,18]hentetracontan-20-yl]acetic acid
CID 171921207
(2S)-2-[[(2S)-1-[(4R,7S,13R)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
CID 162648597
2-[(6S,9S,15S,18R,26S)-6-(4-aminobutyl)-23-carbamoyl-26-(carboxymethyl)-15-[3-(diaminomethylideneamino)propyl]-18-[[(2S)-2-methyl-3-sulfanylpropanoyl]amino]-2,5,8,11,14,17,25,28-octaoxo-20,21-dithia-1,4,7,10,13,16,24,27-octazabicyclo[27.3.0]dotriacontan-9-yl]acetic acid
CID 139483622
(2S)-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-6-(4-aminobutyl)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-23-[3-(carbamoylamino)propyl]-9,26-bis[3-(diaminomethylideneamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-3-methyl-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 73354530
2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 171340302
(3S,6R,9S,12S,15R,20R,23S)-15-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3,9,12-tris[3-(diaminomethylideneamino)propyl]-6-methyl-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosane-20-carboxamide
CID 15160017
2-[(3S,6S,9R,14R,17S,20S,23S,26S,29S,32S)-9-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-26-benzyl-14-carbamoyl-17,29-bis[3-(diaminomethylideneamino)propyl]-6-(hydroxymethyl)-20-(1H-indol-3-ylmethyl)-23-methyl-2,5,8,16,19,22,25,28,31-nonaoxo-11,12-dithia-1,4,7,15,18,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontan-3-yl]acetic acid
CID 155548165
N'-[4-[(3S,6S,9S,12S,15S,20S,23S,26S,29S,32S)-20-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-9,23-bis[3-(carbamoylamino)propyl]-15-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(4-fluorobenzoyl)amino]pentanoyl]amino]pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-6,26-bis[3-(diaminomethylideneamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontan-3-yl]butyl]-N-[8-[4-[[2-(4-chloroanilino)-2-oxoacetyl]amino]piperidin-1-yl]octyl]butanediamide
CID 91933417
(4R,10S,13R)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-19-[[(2R)-2-(hexadecanoylamino)-3-phenylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
CID 177384566
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(3S,6R,9S,14S,17R,20S,23R,26S,29R,32S,35R)-3-(2-amino-2-oxoethyl)-29-[(2S)-butan-2-yl]-23,32-bis(3-carbamimidamidopropyl)-6,26-bis(carboxymethyl)-17-[(4-hydroxyphenyl)methyl]-20-(1H-indol-3-ylmethyl)-9-[[(2S)-4-methyl-2-[[(2S)-2-(quinoline-3-carbonylamino)propanoyl]amino]pentanoyl]amino]-2,5,8,16,19,22,25,28,31,34-decaoxo-11,12-dithia-1,4,7,15,18,21,24,27,30,33-decazabicyclo[33.3.0]octatriacontane-14-carbonyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoic acid
CID 91932069

Frequently Asked Questions

What is the IUPAC name of 2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid?
The IUPAC name of 2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid (CID 175756323) is 2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid.
What is the SMILES notation for 2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid?
The canonical SMILES for 2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid is CC(C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)c2ccccc2)C(C)CF)CSSC[C@@H](C(=O)N[C@@H](Cc2cccnc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CNC1=O.
What is the InChIKey of 2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid?
The InChIKey is NXPVKPUCEKNBQC-NEOHDBHNSA-N. The full InChI is InChI=1S/C66H85FN16O15S2/c1-36(2)53-64(97)73-33-51(85)83-26-12-19-50(83)63(96)77-45(27-38-13-6-4-7-14-38)58(91)80-49(62(95)75-44(55(68)88)29-40-15-10-24-71-32-40)35-100-99-34-48(61(94)74-43(18-11-25-72-66(69)70)57(90)76-47(30-52(86)87)60(93)81-53)79-59(92)46(28-39-20-22-42(84)23-21-39)78-65(98)54(37(3)31-67)82-56(89)41-16-8-5-9-17-41/h4-10,13-17,20-24,32,36-37,43-50,53-54,84H,11-12,18-19,25-31,33-35H2,1-3H3,(H2,68,88)(H,73,97)(H,74,94)(H,75,95)(H,76,90)(H,77,96)(H,78,98)(H,79,92)(H,80,91)(H,81,93)(H,82,89)(H,86,87)(H4,69,70,72)/t37?,43-,44-,45-,46-,47-,48-,49-,50-,53-,54+/m0/s1.
What are the key properties of 2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid?
2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid has a molecular weight of 1425.63 g/mol, XLogP of -1.73, 24 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S,9S,12S,15R,20R,23S,26S)-20-[[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-15-[[(2S)-2-[[(2R)-2-benzamido-4-fluoro-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-23-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,22,25-heptaoxo-6-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24-heptazabicyclo[24.3.0]nonacosan-9-yl]acetic acid is sourced from PubChem (CID 175756323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).