(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide

C33H53N7O7SSi — CID 11764011

About (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 11764011) has the molecular formula C33H53N7O7SSi and a molecular weight of 719.98 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide
• PubChem CID: 11764011
• Molecular Formula: C33H53N7O7SSi
• Molecular Weight: 719.98 g/mol
• Exact Mass: 719.35
• IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide
• SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)N(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C)C(N)=O
• InChI: InChI=1S/C33H53N7O7SSi/c1-20(2)17-25(32(46)38-23(29(34)43)15-16-48-4)37-28(42)19-35-30(44)21(3)40(49(5,6)7)33(47)26(18-22-11-9-8-10-12-22)39-31(45)24-13-14-27(41)36-24/h8-12,20-21,23-26H,13-19H2,1-7H3,(H2,34,43)(H,35,44)(H,36,41)(H,37,42)(H,38,46)(H,39,45)/t21-,23-,24-,25-,26-/m0/s1
• InChIKey: ICCFUFJHIRQBTN-GKKOWRRISA-N
• XLogP: 0.41
• TPSA: 208.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.98
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide?

The IUPAC name of (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 11764011) is (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide is CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)N(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)[Si](C)(C)C)C(N)=O.

What is the InChIKey of (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide?

The InChIKey is ICCFUFJHIRQBTN-GKKOWRRISA-N. The full InChI is InChI=1S/C33H53N7O7SSi/c1-20(2)17-25(32(46)38-23(29(34)43)15-16-48-4)37-28(42)19-35-30(44)21(3)40(49(5,6)7)33(47)26(18-22-11-9-8-10-12-22)39-31(45)24-13-14-27(41)36-24/h8-12,20-21,23-26H,13-19H2,1-7H3,(H2,34,43)(H,35,44)(H,36,41)(H,37,42)(H,38,46)(H,39,45)/t21-,23-,24-,25-,26-/m0/s1.

What are the key properties of (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide?

(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 719.98 g/mol, XLogP of 0.41, 19 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-trimethylsilylamino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 11764011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).