(phenylmethyl) N-[(2S)-1-[[(3S)-7-azanyl-2-oxidanylidene-1-(phenylmethylsulfanyl)heptan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(3S)-7-azanyl-2-oxidanylidene-1-(phenylmethylsulfanyl)heptan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(1S)-5-amino-1-(2-benzylsulfanylacetyl)pentyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(3S)-7-amino-2-oxo-1-(phenylmethylthio)heptan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(3S)-7-amino-1-benzylsulfanyl-2-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-5-amino-1-[2-(benzylthio)acetyl]pentyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C28H39N3O4S MolecularWeight: 513.69196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)CSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)CSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H39N3O4S/c1-21(2)17-25(31-28(34)35-18-22-11-5-3-6-12-22)27(33)30-24(15-9-10-16-29)26(32)20-36-19-23-13-7-4-8-14-23/h3-8,11-14,21,24-25H,9-10,15-20,29H2,1-2H3,(H,30,33)(H,31,34)/t24-,25-/m0/s1