ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(cyclopentylsulfanylcarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-7-oxidanylidene-7-[(triphenylmethyl)amino]hept-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(cyclopentylsulfanylcarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-7-oxidanylidene-7-[(triphenylmethyl)amino]hept-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(cyclopentylsulfanylcarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-7-oxo-7-(tritylamino)hept-2-enoate CAS Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-[[(cyclopentylthio)-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-7-oxo-7-[(triphenylmethyl)amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(cyclopentylsulfanylcarbonylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-7-oxo-7-(tritylamino)hept-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-[(cyclopentylthio)carbonylamino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-7-keto-7-(tritylamino)hept-2-enoic acid ethyl ester Formula: C49H58N4O6S MolecularWeight: 831.07302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC(C)C)NC(=O)SC5CCCC5

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(C)C)NC(=O)SC5CCCC5

InChI

InChI=1S/C49H58N4O6S/c1-4-59-45(55)32-30-40(29-31-44(54)53-49(37-21-11-6-12-22-37,38-23-13-7-14-24-38)39-25-15-8-16-26-39)50-46(56)43(34-36-19-9-5-10-20-36)51-47(57)42(33-35(2)3)52-48(58)60-41-27-17-18-28-41/h5-16,19-26,30,32,35,40-43H,4,17-18,27-29,31,33-34H2,1-3H3,(H,50,56)(H,51,57)(H,52,58)(H,53,54)/b32-30+/t40-,42-,43-/m0/s1