methyl (2S)-6-[2-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]-[3-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]-[2-[[(5S)-6-methoxy-5-(2-naphthalen-2-ylethoxycarbonylamino)-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl]carbonyl-amino]ethanoylamino]-2-(2-naphthalen-2-ylethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-6-[2-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]-[3-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]-[2-[[(5S)-6-methoxy-5-(2-naphthalen-2-ylethoxycarbonylamino)-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl]carbonyl-amino]ethanoylamino]-2-(2-naphthalen-2-ylethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-6-[[2-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]-[3-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]-[2-[[(5S)-6-methoxy-5-[2-(2-naphthyl)ethoxycarbonylamino]-6-oxo-hexyl]amino]-2-oxo-ethyl]carbamoyl]benzoyl]amino]acetyl]amino]-2-[2-(2-naphthyl)ethoxycarbonylamino]hexanoate CAS Name: (2S)-6-[[2-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-[[3-[[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-[2-[[(5S)-6-methoxy-5-[[2-(2-naphthalenyl)ethoxy-oxomethyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-oxomethyl]phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-2-[[2-(2-naphthalenyl)ethoxy-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-[[2-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-[3-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-[2-[[(5S)-6-methoxy-5-(2-naphthalen-2-ylethoxycarbonylamino)-6-oxohexyl]amino]-2-oxoethyl]carbamoyl]benzoyl]amino]acetyl]amino]-2-(2-naphthalen-2-ylethoxycarbonylamino)hexanoate Traditional Name: (2S)-6-[[2-[[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl]-[3-[[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl]-[2-keto-2-[[(5S)-6-keto-6-methoxy-5-[2-(2-naphthyl)ethoxycarbonylamino]hexyl]amino]ethyl]carbamoyl]benzoyl]amino]acetyl]amino]-2-[2-(2-naphthyl)ethoxycarbonylamino]hexanoic acid methyl ester Formula: C72H80F2N8O14 MolecularWeight: 1319.447606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)CN(CC(=O)NCCC1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)C(=O)N(CC(=O)NCCCCC(C(=O)OC)NC(=O)OCCC3=CC4=CC=CC=C4C=C3)CC(=O)NCCC5=CC=C(C=C5)F)NC(=O)OCCC6=CC7=CC=CC=C7C=C6

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=O)CN(CC(=O)NCCC1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)C(=O)N(CC(=O)NCCCC[C@@H](C(=O)OC)NC(=O)OCCC3=CC4=CC=CC=C4C=C3)CC(=O)NCCC5=CC=C(C=C5)F)NC(=O)OCCC6=CC7=CC=CC=C7C=C6

InChI

InChI=1S/C72H80F2N8O14/c1-93-69(89)61(79-71(91)95-40-34-51-20-26-53-12-3-5-14-55(53)42-51)18-7-9-36-75-63(83)45-81(47-65(85)77-38-32-49-22-28-59(73)29-23-49)67(87)57-16-11-17-58(44-57)68(88)82(48-66(86)78-39-33-50-24-30-60(74)31-25-50)46-64(84)76-37-10-8-19-62(70(90)94-2)80-72(92)96-41-35-52-21-27-54-13-4-6-15-56(54)43-52/h3-6,11-17,20-31,42-44,61-62H,7-10,18-19,32-41,45-48H2,1-2H3,(H,75,83)(H,76,84)(H,77,85)(H,78,86)(H,79,91)(H,80,92)/t61-,62-/m0/s1