(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid

C24H43N7O11 — CID 71296060

About (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid

(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid (PubChem CID 71296060) has the molecular formula C24H43N7O11 and a molecular weight of 605.65 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid.

Molecular Properties

• Compound Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid
• PubChem CID: 71296060
• Molecular Formula: C24H43N7O11
• Molecular Weight: 605.65 g/mol
• Exact Mass: 605.30
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid
• SMILES: NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)O
• InChI: InChI=1S/C24H43N7O11/c25-9-3-1-5-13(27)20(37)28-15(7-8-18(33)34)22(39)29-14(6-2-4-10-26)21(38)31-17(12-32)23(40)30-16(24(41)42)11-19(35)36/h13-17,32H,1-12,25-27H2,(H,28,37)(H,29,39)(H,30,40)(H,31,38)(H,33,34)(H,35,36)(H,41,42)/t13-,14-,15-,16-,17-/m0/s1
• InChIKey: IVXJPENMORMXQQ-WOYTXXSLSA-N
• XLogP: -4.07
• TPSA: 326.59 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Rotatable Bonds: 23
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	605.65
LogP ≤ 5	-4.07
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid?

The IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid (CID 71296060) is (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid.

What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid?

The canonical SMILES for (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid is NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)O.

What is the InChIKey of (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid?

The InChIKey is IVXJPENMORMXQQ-WOYTXXSLSA-N. The full InChI is InChI=1S/C24H43N7O11/c25-9-3-1-5-13(27)20(37)28-15(7-8-18(33)34)22(39)29-14(6-2-4-10-26)21(38)31-17(12-32)23(40)30-16(24(41)42)11-19(35)36/h13-17,32H,1-12,25-27H2,(H,28,37)(H,29,39)(H,30,40)(H,31,38)(H,33,34)(H,35,36)(H,41,42)/t13-,14-,15-,16-,17-/m0/s1.

What are the key properties of (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid?

(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid has a molecular weight of 605.65 g/mol, XLogP of -4.07, 23 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid is sourced from PubChem (CID 71296060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).