(4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid

C34H59N11O13 — CID 11158691

About (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid

(4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 11158691) has the molecular formula C34H59N11O13 and a molecular weight of 829.91 g/mol. Its IUPAC name is (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid
• PubChem CID: 11158691
• Molecular Formula: C34H59N11O13
• Molecular Weight: 829.91 g/mol
• Exact Mass: 829.43
• IUPAC Name: (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)O
• InChI: InChI=1S/C34H59N11O13/c1-4-16(2)27(33(56)40-17(3)34(57)58)45-31(54)21(10-12-24(38)47)42-29(52)19(7-5-6-14-35)41-30(53)20(9-11-23(37)46)43-32(55)22(15-25(39)48)44-28(51)18(36)8-13-26(49)50/h16-22,27H,4-15,35-36H2,1-3H3,(H2,37,46)(H2,38,47)(H2,39,48)(H,40,56)(H,41,53)(H,42,52)(H,43,55)(H,44,51)(H,45,54)(H,49,50)(H,57,58)/t16-,17-,18-,19-,20-,21-,22-,27-/m0/s1
• InChIKey: JVYXMEOKMAIHQM-FPUNFRGESA-N
• XLogP: -5.23
• TPSA: 430.51 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 13
• Rotatable Bonds: 30
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	829.91
LogP ≤ 5	-5.23
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid?

The IUPAC name of (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid (CID 11158691) is (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid?

The canonical SMILES for (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid is CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)O.

What is the InChIKey of (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid?

The InChIKey is JVYXMEOKMAIHQM-FPUNFRGESA-N. The full InChI is InChI=1S/C34H59N11O13/c1-4-16(2)27(33(56)40-17(3)34(57)58)45-31(54)21(10-12-24(38)47)42-29(52)19(7-5-6-14-35)41-30(53)20(9-11-23(37)46)43-32(55)22(15-25(39)48)44-28(51)18(36)8-13-26(49)50/h16-22,27H,4-15,35-36H2,1-3H3,(H2,37,46)(H2,38,47)(H2,39,48)(H,40,56)(H,41,53)(H,42,52)(H,43,55)(H,44,51)(H,45,54)(H,49,50)(H,57,58)/t16-,17-,18-,19-,20-,21-,22-,27-/m0/s1.

What are the key properties of (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid?

(4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 829.91 g/mol, XLogP of -5.23, 30 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 11158691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).