(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid

C31H61N11O9 — CID 175901885

About (2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid

(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid (PubChem CID 175901885) has the molecular formula C31H61N11O9 and a molecular weight of 731.90 g/mol. Its IUPAC name is (2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid
• PubChem CID: 175901885
• Molecular Formula: C31H61N11O9
• Molecular Weight: 731.90 g/mol
• Exact Mass: 731.47
• IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@@H](N)CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CO)C(=O)O
• InChI: InChI=1S/C31H61N11O9/c1-5-17(4)24(30(49)39-21(9-13-35)26(45)38-20(8-12-34)28(47)41-23(15-43)31(50)51)42-29(48)22(14-16(2)3)40-27(46)19(7-11-33)37-25(44)18(36)6-10-32/h16-24,43H,5-15,32-36H2,1-4H3,(H,37,44)(H,38,45)(H,39,49)(H,40,46)(H,41,47)(H,42,48)(H,50,51)/t17-,18-,19-,20-,21-,22+,23-,24-/m0/s1
• InChIKey: KGWAFZKVEWLOSP-KIHUSNISSA-N
• XLogP: -5.21
• TPSA: 362.23 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 13
• Rotatable Bonds: 26
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	731.90
LogP ≤ 5	-5.21
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid?

The IUPAC name of (2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid (CID 175901885) is (2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid.

What is the SMILES notation for (2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid?

The canonical SMILES for (2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid is CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@@H](N)CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CO)C(=O)O.

What is the InChIKey of (2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid?

The InChIKey is KGWAFZKVEWLOSP-KIHUSNISSA-N. The full InChI is InChI=1S/C31H61N11O9/c1-5-17(4)24(30(49)39-21(9-13-35)26(45)38-20(8-12-34)28(47)41-23(15-43)31(50)51)42-29(48)22(14-16(2)3)40-27(46)19(7-11-33)37-25(44)18(36)6-10-32/h16-24,43H,5-15,32-36H2,1-4H3,(H,37,44)(H,38,45)(H,39,49)(H,40,46)(H,41,47)(H,42,48)(H,50,51)/t17-,18-,19-,20-,21-,22+,23-,24-/m0/s1.

What are the key properties of (2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid?

(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 731.90 g/mol, XLogP of -5.21, 26 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diaminobutanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 175901885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).