(2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide

C29H41N7O6 — CID 24841535

About (2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide

(2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide (PubChem CID 24841535) has the molecular formula C29H41N7O6 and a molecular weight of 583.69 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide.

Molecular Properties

• Compound Name: (2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide
• PubChem CID: 24841535
• Molecular Formula: C29H41N7O6
• Molecular Weight: 583.69 g/mol
• Exact Mass: 583.31
• IUPAC Name: (2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide
• SMILES: C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
• InChI: InChI=1S/C29H41N7O6/c1-18(27(40)33-17-25(38)35-23(26(32)39)15-19-7-3-2-4-8-19)34-29(42)24(16-20-10-12-21(37)13-11-20)36-28(41)22(31)9-5-6-14-30/h2-4,7-8,10-13,18,22-24,37H,5-6,9,14-17,30-31H2,1H3,(H2,32,39)(H,33,40)(H,34,42)(H,35,38)(H,36,41)/t18-,22+,23+,24+/m1/s1
• InChIKey: OYNILYCWOOVAHC-JMBSJVKXSA-N
• XLogP: -1.29
• TPSA: 231.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.69
LogP ≤ 5	-1.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide?

The IUPAC name of (2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide (CID 24841535) is (2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide.

What is the SMILES notation for (2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide?

The canonical SMILES for (2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide is C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O.

What is the InChIKey of (2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide?

The InChIKey is OYNILYCWOOVAHC-JMBSJVKXSA-N. The full InChI is InChI=1S/C29H41N7O6/c1-18(27(40)33-17-25(38)35-23(26(32)39)15-19-7-3-2-4-8-19)34-29(42)24(16-20-10-12-21(37)13-11-20)36-28(41)22(31)9-5-6-14-30/h2-4,7-8,10-13,18,22-24,37H,5-6,9,14-17,30-31H2,1H3,(H2,32,39)(H,33,40)(H,34,42)(H,35,38)(H,36,41)/t18-,22+,23+,24+/m1/s1.

What are the key properties of (2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide?

(2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide has a molecular weight of 583.69 g/mol, XLogP of -1.29, 17 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide is sourced from PubChem (CID 24841535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).