ethyl (E,4S)-7-azanyl-4-[[(2S)-2-[(2S)-2-(cyclopentylsulfanylcarbonylamino)-3-methyl-butanoyl]oxy-3-(4-fluorophenyl)propanoyl]amino]-7-oxidanylidene-hept-2-enoate

Systemtic Name: ethyl (E,4S)-7-azanyl-4-[[(2S)-2-[(2S)-2-(cyclopentylsulfanylcarbonylamino)-3-methyl-butanoyl]oxy-3-(4-fluorophenyl)propanoyl]amino]-7-oxidanylidene-hept-2-enoate Openeye Name: ethyl (E,4S)-7-amino-4-[[(2S)-2-[(2S)-2-(cyclopentylsulfanylcarbonylamino)-3-methyl-butanoyl]oxy-3-(4-fluorophenyl)propanoyl]amino]-7-oxo-hept-2-enoate CAS Name: (E,4S)-7-amino-4-[[(2S)-2-[(2S)-2-[[(cyclopentylthio)-oxomethyl]amino]-3-methyl-1-oxobutoxy]-3-(4-fluorophenyl)-1-oxopropyl]amino]-7-oxo-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-7-amino-4-[[(2S)-2-[(2S)-2-(cyclopentylsulfanylcarbonylamino)-3-methylbutanoyl]oxy-3-(4-fluorophenyl)propanoyl]amino]-7-oxohept-2-enoate Traditional Name: (E,4S)-7-amino-4-[[(2S)-2-[(2S)-2-[(cyclopentylthio)carbonylamino]-3-methyl-butanoyl]oxy-3-(4-fluorophenyl)propanoyl]amino]-7-keto-hept-2-enoic acid ethyl ester Formula: C29H40FN3O7S MolecularWeight: 593.707203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)F)OC(=O)C(C(C)C)NC(=O)SC2CCCC2

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)F)OC(=O)[C@H](C(C)C)NC(=O)SC2CCCC2

InChI

InChI=1S/C29H40FN3O7S/c1-4-39-25(35)16-14-21(13-15-24(31)34)32-27(36)23(17-19-9-11-20(30)12-10-19)40-28(37)26(18(2)3)33-29(38)41-22-7-5-6-8-22/h9-12,14,16,18,21-23,26H,4-8,13,15,17H2,1-3H3,(H2,31,34)(H,32,36)(H,33,38)/b16-14+/t21-,23-,26-/m0/s1