(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid

C30H55N9O11 — CID 175867971

About (2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid

(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid (PubChem CID 175867971) has the molecular formula C30H55N9O11 and a molecular weight of 717.82 g/mol. Its IUPAC name is (2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: (2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid
• PubChem CID: 175867971
• Molecular Formula: C30H55N9O11
• Molecular Weight: 717.82 g/mol
• Exact Mass: 717.40
• IUPAC Name: (2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O
• InChI: InChI=1S/C30H55N9O11/c1-4-15(2)23(38-25(44)17(33)13-21(34)41)28(47)35-18(9-5-7-11-31)26(45)37-20(14-22(42)43)27(46)39-24(16(3)40)29(48)36-19(30(49)50)10-6-8-12-32/h15-20,23-24,40H,4-14,31-33H2,1-3H3,(H2,34,41)(H,35,47)(H,36,48)(H,37,45)(H,38,44)(H,39,46)(H,42,43)(H,49,50)/t15-,16+,17-,18-,19-,20-,23-,24-/m0/s1
• InChIKey: LNQGPPFIOUMPQM-UCXHCKEJSA-N
• XLogP: -4.14
• TPSA: 361.48 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 26
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	717.82
LogP ≤ 5	-4.14
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid?

The IUPAC name of (2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid (CID 175867971) is (2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid.

What is the SMILES notation for (2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid?

The canonical SMILES for (2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid is CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O.

What is the InChIKey of (2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid?

The InChIKey is LNQGPPFIOUMPQM-UCXHCKEJSA-N. The full InChI is InChI=1S/C30H55N9O11/c1-4-15(2)23(38-25(44)17(33)13-21(34)41)28(47)35-18(9-5-7-11-31)26(45)37-20(14-22(42)43)27(46)39-24(16(3)40)29(48)36-19(30(49)50)10-6-8-12-32/h15-20,23-24,40H,4-14,31-33H2,1-3H3,(H2,34,41)(H,35,47)(H,36,48)(H,37,45)(H,38,44)(H,39,46)(H,42,43)(H,49,50)/t15-,16+,17-,18-,19-,20-,23-,24-/m0/s1.

What are the key properties of (2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid?

(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid has a molecular weight of 717.82 g/mol, XLogP of -4.14, 26 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid is sourced from PubChem (CID 175867971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).