(phenylmethyl) (2S)-2-[[(2S)-2-(cyclopropylcarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-(cyclopropylcarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-(cyclopropanecarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[cyclopropyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(cyclopropanecarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)C2CC2

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)C2CC2

InChI

InChI=1S/C21H30N2O4/c1-13(2)17(22-19(24)16-10-11-16)20(25)23-18(14(3)4)21(26)27-12-15-8-6-5-7-9-15/h5-9,13-14,16-18H,10-12H2,1-4H3,(H,22,24)(H,23,25)/t17-,18-/m0/s1