5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

C34H56N6O7 — CID 59848607

About 5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 59848607) has the molecular formula C34H56N6O7 and a molecular weight of 660.86 g/mol. Its IUPAC name is 5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
• PubChem CID: 59848607
• Molecular Formula: C34H56N6O7
• Molecular Weight: 660.86 g/mol
• Exact Mass: 660.42
• IUPAC Name: 5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
• SMILES: CCC[C@H](NC(=O)[C@@H](NC(=O)CCCC(=O)O)[C@@H](C)CC)C(=O)N[C@H](CN[C@@H](C)C(=O)NCc1ccc(CC(N)=O)cc1)CC(C)C
• InChI: InChI=1S/C34H56N6O7/c1-7-10-27(39-34(47)31(22(5)8-2)40-29(42)11-9-12-30(43)44)33(46)38-26(17-21(3)4)20-36-23(6)32(45)37-19-25-15-13-24(14-16-25)18-28(35)41/h13-16,21-23,26-27,31,36H,7-12,17-20H2,1-6H3,(H2,35,41)(H,37,45)(H,38,46)(H,39,47)(H,40,42)(H,43,44)/t22-,23-,26-,27-,31-/m0/s1
• InChIKey: MXCLISGTBLBQJI-RKISSATPSA-N
• XLogP: 1.91
• TPSA: 208.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 23
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.86
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?

The IUPAC name of 5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid (CID 59848607) is 5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.

What is the SMILES notation for 5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?

The canonical SMILES for 5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid is CCC[C@H](NC(=O)[C@@H](NC(=O)CCCC(=O)O)[C@@H](C)CC)C(=O)N[C@H](CN[C@@H](C)C(=O)NCc1ccc(CC(N)=O)cc1)CC(C)C.

What is the InChIKey of 5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?

The InChIKey is MXCLISGTBLBQJI-RKISSATPSA-N. The full InChI is InChI=1S/C34H56N6O7/c1-7-10-27(39-34(47)31(22(5)8-2)40-29(42)11-9-12-30(43)44)33(46)38-26(17-21(3)4)20-36-23(6)32(45)37-19-25-15-13-24(14-16-25)18-28(35)41/h13-16,21-23,26-27,31,36H,7-12,17-20H2,1-6H3,(H2,35,41)(H,37,45)(H,38,46)(H,39,47)(H,40,42)(H,43,44)/t22-,23-,26-,27-,31-/m0/s1.

What are the key properties of 5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?

5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 660.86 g/mol, XLogP of 1.91, 23 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 59848607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).