(2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid

C22H41N9O7 — CID 175735152

About (2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid

(2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid (PubChem CID 175735152) has the molecular formula C22H41N9O7 and a molecular weight of 543.63 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 175735152
• Molecular Formula: C22H41N9O7
• Molecular Weight: 543.63 g/mol
• Exact Mass: 543.31
• IUPAC Name: (2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid
• SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
• InChI: InChI=1S/C22H41N9O7/c1-11(2)10-15(31-18(34)12(23)5-7-16(24)32)20(36)29-13(4-3-9-28-22(26)27)19(35)30-14(21(37)38)6-8-17(25)33/h11-15H,3-10,23H2,1-2H3,(H2,24,32)(H2,25,33)(H,29,36)(H,30,35)(H,31,34)(H,37,38)(H4,26,27,28)/t12-,13-,14-,15-/m0/s1
• InChIKey: DTEATOSDHXNTLW-AJNGGQMLSA-N
• XLogP: -3.52
• TPSA: 301.20 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.63
LogP ≤ 5	-3.52
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	8

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 (2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of (2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid (CID 175735152) is (2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for (2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid is CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O.

What is the InChIKey of (2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is DTEATOSDHXNTLW-AJNGGQMLSA-N. The full InChI is InChI=1S/C22H41N9O7/c1-11(2)10-15(31-18(34)12(23)5-7-16(24)32)20(36)29-13(4-3-9-28-22(26)27)19(35)30-14(21(37)38)6-8-17(25)33/h11-15H,3-10,23H2,1-2H3,(H2,24,32)(H2,25,33)(H,29,36)(H,30,35)(H,31,34)(H,37,38)(H4,26,27,28)/t12-,13-,14-,15-/m0/s1.

What are the key properties of (2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid?

(2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 543.63 g/mol, XLogP of -3.52, 19 rotatable bonds, 9 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 175735152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).