ethyl 4-[[(2S)-2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-phenyl-propanoyl]amino]butanoate

Systemtic Name: ethyl 4-[[(2S)-2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-phenyl-propanoyl]amino]butanoate Openeye Name: ethyl 4-[[(2S)-2-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]amino]-3-phenyl-propanoyl]amino]butanoate CAS Name: 4-[[(2S)-2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-phenylpropanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-[[(1S)-2-amino-2-keto-1-methyl-ethyl]amino]-3-phenyl-propanoyl]amino]butyric acid ethyl ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)C(CC1=CC=CC=C1)NC(C)C(=O)N

Isomeric SMILES

CCOC(=O)CCCNC(=O)[C@H](CC1=CC=CC=C1)N[C@@H](C)C(=O)N

InChI

InChI=1S/C18H27N3O4/c1-3-25-16(22)10-7-11-20-18(24)15(21-13(2)17(19)23)12-14-8-5-4-6-9-14/h4-6,8-9,13,15,21H,3,7,10-12H2,1-2H3,(H2,19,23)(H,20,24)/t13-,15-/m0/s1