(phenylmethyl) N-[(3S)-1-[[(2R)-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-5-methyl-1-oxidanylidene-hexan-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3S)-1-[[(2R)-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-5-methyl-1-oxidanylidene-hexan-3-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[2-[[(1R)-1-carbamoylpentyl]amino]-2-oxo-ethyl]-3-methyl-butyl]carbamate CAS Name: N-[(3S)-1-[[(2R)-1-amino-1-oxohexan-2-yl]amino]-5-methyl-1-oxohexan-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S)-1-[[(2R)-1-amino-1-oxohexan-2-yl]amino]-5-methyl-1-oxohexan-3-yl]carbamate Traditional Name: N-[(1S)-1-[2-[[(1R)-1-carbamoylpentyl]amino]-2-keto-ethyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N)NC(=O)CC(CC(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCC[C@H](C(=O)N)NC(=O)C[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H33N3O4/c1-4-5-11-18(20(22)26)24-19(25)13-17(12-15(2)3)23-21(27)28-14-16-9-7-6-8-10-16/h6-10,15,17-18H,4-5,11-14H2,1-3H3,(H2,22,26)(H,23,27)(H,24,25)/t17-,18+/m0/s1