(2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid

C30H50N10O14 — CID 175714730

About (2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid

(2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid (PubChem CID 175714730) has the molecular formula C30H50N10O14 and a molecular weight of 774.79 g/mol. Its IUPAC name is (2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid
• PubChem CID: 175714730
• Molecular Formula: C30H50N10O14
• Molecular Weight: 774.79 g/mol
• Exact Mass: 774.35
• IUPAC Name: (2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid
• SMILES: CC(C)C[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
• InChI: InChI=1S/C30H50N10O14/c1-13(2)10-19(29(53)54)40-27(51)17(6-8-22(44)45)37-26(50)16(5-7-21(42)43)38-28(52)18(12-23(46)47)39-25(49)15(4-3-9-35-30(33)34)36-24(48)14(31)11-20(32)41/h13-19H,3-12,31H2,1-2H3,(H2,32,41)(H,36,48)(H,37,50)(H,38,52)(H,39,49)(H,40,51)(H,42,43)(H,44,45)(H,46,47)(H,53,54)(H4,33,34,35)/t14-,15+,16+,17+,18+,19+/m0/s1
• InChIKey: ULIVEWGQYWEHPK-DOQFWFFUSA-N
• XLogP: -5.00
• TPSA: 428.21 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 12
• Rotatable Bonds: 27
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	774.79
LogP ≤ 5	-5.00
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid?

The IUPAC name of (2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid (CID 175714730) is (2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid.

What is the SMILES notation for (2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid?

The canonical SMILES for (2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(N)=O)C(=O)O.

What is the InChIKey of (2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid?

The InChIKey is ULIVEWGQYWEHPK-DOQFWFFUSA-N. The full InChI is InChI=1S/C30H50N10O14/c1-13(2)10-19(29(53)54)40-27(51)17(6-8-22(44)45)37-26(50)16(5-7-21(42)43)38-28(52)18(12-23(46)47)39-25(49)15(4-3-9-35-30(33)34)36-24(48)14(31)11-20(32)41/h13-19H,3-12,31H2,1-2H3,(H2,32,41)(H,36,48)(H,37,50)(H,38,52)(H,39,49)(H,40,51)(H,42,43)(H,44,45)(H,46,47)(H,53,54)(H4,33,34,35)/t14-,15+,16+,17+,18+,19+/m0/s1.

What are the key properties of (2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid?

(2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid has a molecular weight of 774.79 g/mol, XLogP of -5.00, 27 rotatable bonds, 13 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[[(2R)-3-carboxy-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 175714730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).