2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid

C133H213N27O31S6 — CID 172955831

About 2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid

2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid (PubChem CID 172955831) has the molecular formula C133H213N27O31S6 and a molecular weight of 2878.73 g/mol. Its IUPAC name is 2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid
• PubChem CID: 172955831
• Molecular Formula: C133H213N27O31S6
• Molecular Weight: 2878.73 g/mol
• Exact Mass: 2876.42
• IUPAC Name: 2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid
• SMILES: C/C(=N/O)C(C)(C)CCCC(CCNC(=O)CCCC(=O)NCCCC[C@@H]1NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)CC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)C[C@@H](CCCN=C(N)N)C(=O)NCC(=O)C[C@@H](CC(=O)O)C(=O)N2)CCNC(C)(C)/C(C)=N\O.CCOCCCC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCNC(=O)CCCC(=O)NCCC(CCCC(C)(C)/C(C)=N\O)CCNC(C)(C)/C(C)=N\O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)CC(=O)CNC(=O)[C@H](CCCN=C(N)N)CC2=O)C(=O)C[C@@H](Cc2ccccc2)C(=O)N1
• InChI: InChI=1S/C69H111N13O16S3.C64H102N14O15S3/c1-8-98-33-17-23-56(84)53-40-99-43-61(89)77-52(22-12-13-29-72-59(87)24-14-25-60(88)73-31-26-46(20-15-28-68(4,5)44(2)81-96)27-32-76-69(6,7)45(3)82-97)66(95)80-55-42-101-100-41-54(58(86)37-49(64(93)78-53)34-47-18-10-9-11-19-47)79-65(94)50(38-62(90)91)35-51(83)39-75-63(92)48(36-57(55)85)21-16-30-74-67(70)71;1-39(77-92)63(3,4)24-13-17-41(23-28-72-64(5,6)40(2)78-93)22-27-69-54(83)21-12-20-53(82)68-25-11-10-19-47-61(91)75-49-37-96-95-36-48(52(81)32-44(29-42-15-8-7-9-16-42)59(89)76-50(57(65)87)35-94-38-55(84)73-47)74-60(90)45(33-56(85)86)30-46(79)34-71-58(88)43(31-51(49)80)18-14-26-70-62(66)67/h9-11,18-19,46,48-50,52-55,76,96-97H,8,12-17,20-43H2,1-7H3,(H,72,87)(H,73,88)(H,75,92)(H,77,89)(H,78,93)(H,79,94)(H,80,95)(H,90,91)(H4,70,71,74);7-9,15-16,41,43-45,47-50,72,92-93H,10-14,17-38H2,1-6H3,(H2,65,87)(H,68,82)(H,69,83)(H,71,88)(H,73,84)(H,74,90)(H,75,91)(H,76,89)(H,85,86)(H4,66,67,70)/b81-44-,82-45-;77-39-,78-40-/t46?,48-,49-,50+,52+,53+,54+,55+;41?,43-,44-,45+,47+,48+,49+,50+/m11/s1
• InChIKey: UBMJODILODBMRF-FRRXIFHSSA-N
• XLogP: 6.70
• TPSA: 937.03 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 43
• Rotatable Bonds: 67
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2878.73
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	43

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid?

The IUPAC name of 2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid (CID 172955831) is 2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid.

What is the SMILES notation for 2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid?

The canonical SMILES for 2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid is C/C(=N/O)C(C)(C)CCCC(CCNC(=O)CCCC(=O)NCCCC[C@@H]1NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)CC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)C[C@@H](CCCN=C(N)N)C(=O)NCC(=O)C[C@@H](CC(=O)O)C(=O)N2)CCNC(C)(C)/C(C)=N\O.CCOCCCC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCNC(=O)CCCC(=O)NCCC(CCCC(C)(C)/C(C)=N\O)CCNC(C)(C)/C(C)=N\O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)CC(=O)CNC(=O)[C@H](CCCN=C(N)N)CC2=O)C(=O)C[C@@H](Cc2ccccc2)C(=O)N1.

What is the InChIKey of 2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid?

The InChIKey is UBMJODILODBMRF-FRRXIFHSSA-N. The full InChI is InChI=1S/C69H111N13O16S3.C64H102N14O15S3/c1-8-98-33-17-23-56(84)53-40-99-43-61(89)77-52(22-12-13-29-72-59(87)24-14-25-60(88)73-31-26-46(20-15-28-68(4,5)44(2)81-96)27-32-76-69(6,7)45(3)82-97)66(95)80-55-42-101-100-41-54(58(86)37-49(64(93)78-53)34-47-18-10-9-11-19-47)79-65(94)50(38-62(90)91)35-51(83)39-75-63(92)48(36-57(55)85)21-16-30-74-67(70)71;1-39(77-92)63(3,4)24-13-17-41(23-28-72-64(5,6)40(2)78-93)22-27-69-54(83)21-12-20-53(82)68-25-11-10-19-47-61(91)75-49-37-96-95-36-48(52(81)32-44(29-42-15-8-7-9-16-42)59(89)76-50(57(65)87)35-94-38-55(84)73-47)74-60(90)45(33-56(85)86)30-46(79)34-71-58(88)43(31-51(49)80)18-14-26-70-62(66)67/h9-11,18-19,46,48-50,52-55,76,96-97H,8,12-17,20-43H2,1-7H3,(H,72,87)(H,73,88)(H,75,92)(H,77,89)(H,78,93)(H,79,94)(H,80,95)(H,90,91)(H4,70,71,74);7-9,15-16,41,43-45,47-50,72,92-93H,10-14,17-38H2,1-6H3,(H2,65,87)(H,68,82)(H,69,83)(H,71,88)(H,73,84)(H,74,90)(H,75,91)(H,76,89)(H,85,86)(H4,66,67,70)/b81-44-,82-45-;77-39-,78-40-/t46?,48-,49-,50+,52+,53+,54+,55+;41?,43-,44-,45+,47+,48+,49+,50+/m11/s1.

What are the key properties of 2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid?

2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid has a molecular weight of 2878.73 g/mol, XLogP of 6.70, 67 rotatable bonds, 27 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-10-carbamoyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;2-[(1R,4S,10R,13R,16R,19S,25R)-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-10-(4-ethoxybutanoyl)-4-[4-[[5-[[(8Z)-8-hydroxyimino-3-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]-7,7-dimethylnonyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,17,23-pentazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid is sourced from PubChem (CID 172955831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).