ethyl (E,6S)-7-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-6-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-7-oxidanylidene-hept-2-enoate

Systemtic Name: ethyl (E,6S)-7-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-6-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-7-oxidanylidene-hept-2-enoate Openeye Name: ethyl (E,6S)-6-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-7-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-7-oxo-hept-2-enoate CAS Name: (E,6S)-7-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-6-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-7-oxo-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,6S)-7-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-6-[[(2S)-2-amino-3-phenylpropanoyl]amino]-7-oxohept-2-enoate Traditional Name: (E,6S)-6-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-7-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-7-keto-hept-2-enoic acid ethyl ester Formula: C24H36N4O5 MolecularWeight: 460.56644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O5/c1-4-33-21(29)13-9-8-12-19(24(32)28-20(22(26)30)14-16(2)3)27-23(31)18(25)15-17-10-6-5-7-11-17/h5-7,9-11,13,16,18-20H,4,8,12,14-15,25H2,1-3H3,(H2,26,30)(H,27,31)(H,28,32)/b13-9+/t18-,19-,20-/m0/s1