(2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid

C32H58N8O11 — CID 56671665

About (2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid

(2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid (PubChem CID 56671665) has the molecular formula C32H58N8O11 and a molecular weight of 730.86 g/mol. Its IUPAC name is (2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
• PubChem CID: 56671665
• Molecular Formula: C32H58N8O11
• Molecular Weight: 730.86 g/mol
• Exact Mass: 730.42
• IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
• SMILES: CC[C@H](C)[C@H](NC(=O)C(NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O
• InChI: InChI=1S/C32H58N8O11/c1-7-17(6)27(40-30(48)26(16(4)5)39-28(46)18(33)8-10-23(34)43)31(49)37-20(12-15(2)3)22(42)13-25(45)36-19(9-11-24(35)44)29(47)38-21(14-41)32(50)51/h15-22,26-27,41-42H,7-14,33H2,1-6H3,(H2,34,43)(H2,35,44)(H,36,45)(H,37,49)(H,38,47)(H,39,46)(H,40,48)(H,50,51)/t17-,18-,19-,20-,21-,22-,26?,27-/m0/s1
• InChIKey: PZWFOYVNIWDJGA-CWOZCJBLSA-N
• XLogP: -3.16
• TPSA: 335.46 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	730.86
LogP ≤ 5	-3.16
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid?

The IUPAC name of (2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid (CID 56671665) is (2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid.

What is the SMILES notation for (2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid?

The canonical SMILES for (2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid is CC[C@H](C)[C@H](NC(=O)C(NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O.

What is the InChIKey of (2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid?

The InChIKey is PZWFOYVNIWDJGA-CWOZCJBLSA-N. The full InChI is InChI=1S/C32H58N8O11/c1-7-17(6)27(40-30(48)26(16(4)5)39-28(46)18(33)8-10-23(34)43)31(49)37-20(12-15(2)3)22(42)13-25(45)36-19(9-11-24(35)44)29(47)38-21(14-41)32(50)51/h15-22,26-27,41-42H,7-14,33H2,1-6H3,(H2,34,43)(H2,35,44)(H,36,45)(H,37,49)(H,38,47)(H,39,46)(H,40,48)(H,50,51)/t17-,18-,19-,20-,21-,22-,26?,27-/m0/s1.

What are the key properties of (2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid?

(2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 730.86 g/mol, XLogP of -3.16, 25 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 56671665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).