(2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide

C34H55N7O7 — CID 71563380

About (2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 71563380) has the molecular formula C34H55N7O7 and a molecular weight of 673.86 g/mol. Its IUPAC name is (2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 71563380
• Molecular Formula: C34H55N7O7
• Molecular Weight: 673.86 g/mol
• Exact Mass: 673.42
• IUPAC Name: (2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
• SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C=O)C(C)C
• InChI: InChI=1S/C34H55N7O7/c1-21(2)17-26(32(46)40-28(19-42)22(3)4)38-33(47)27(18-23-11-6-5-7-12-23)39-34(48)29(20-43)41-31(45)25(13-8-9-15-35)37-30(44)24-14-10-16-36-24/h5-7,11-12,19,21-22,24-29,36,43H,8-10,13-18,20,35H2,1-4H3,(H,37,44)(H,38,47)(H,39,48)(H,40,46)(H,41,45)/t24-,25-,26-,27-,28+,29-/m0/s1
• InChIKey: QUCIDEYKEHXWRW-JLRZMDASSA-N
• XLogP: -0.57
• TPSA: 220.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.86
LogP ≤ 5	-0.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide (CID 71563380) is (2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide is CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C=O)C(C)C.

What is the InChIKey of (2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is QUCIDEYKEHXWRW-JLRZMDASSA-N. The full InChI is InChI=1S/C34H55N7O7/c1-21(2)17-26(32(46)40-28(19-42)22(3)4)38-33(47)27(18-23-11-6-5-7-12-23)39-34(48)29(20-43)41-31(45)25(13-8-9-15-35)37-30(44)24-14-10-16-36-24/h5-7,11-12,19,21-22,24-29,36,43H,8-10,13-18,20,35H2,1-4H3,(H,37,44)(H,38,47)(H,39,48)(H,40,46)(H,41,45)/t24-,25-,26-,27-,28+,29-/m0/s1.

What are the key properties of (2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide?

(2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 673.86 g/mol, XLogP of -0.57, 21 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2S)-6-amino-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71563380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).