tert-butyl 4-[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(2R)-2-(oxan-2-yloxy)-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonyl-amino]hexanoyl]amino]-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(2R)-2-(oxan-2-yloxy)-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonyl-amino]hexanoyl]amino]-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-[[(2S)-6-[benzyloxycarbonyl-[(2R)-4-(benzyloxycarbonylamino)-2-tetrahydropyran-2-yloxy-butyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-3-[(2-tert-butoxy-2-oxo-ethyl)amino]-3-oxo-propyl]imidazole-1-carboxylate CAS Name: 4-[(2S)-2-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-6-[[(2R)-2-(2-oxanyloxy)-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonylamino]-1-oxohexyl]amino]-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-oxopropyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(2R)-2-(oxan-2-yloxy)-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonylamino]hexanoyl]amino]-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-oxopropyl]imidazole-1-carboxylate Traditional Name: 4-[(2S)-2-[[(2S)-6-[[(2R)-4-(benzyloxycarbonylamino)-2-tetrahydropyran-2-yloxy-butyl]-carbobenzoxy-amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-3-[(2-tert-butoxy-2-keto-ethyl)amino]-3-keto-propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C63H79N7O14 MolecularWeight: 1158.33986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C(CC1=CN(C=N1)C(=O)OC(C)(C)C)NC(=O)C(CCCCN(CC(CCNC(=O)OCC2=CC=CC=C2)OC3CCCCO3)C(=O)OCC4=CC=CC=C4)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)[C@H](CC1=CN(C=N1)C(=O)OC(C)(C)C)NC(=O)[C@H](CCCCN(C[C@@H](CCNC(=O)OCC2=CC=CC=C2)OC3CCCCO3)C(=O)OCC4=CC=CC=C4)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

InChI

InChI=1S/C63H79N7O14/c1-62(2,3)83-54(71)36-65-56(72)53(35-45-37-70(42-66-45)61(77)84-63(4,5)6)67-57(73)52(68-59(75)80-41-51-49-27-15-13-25-47(49)48-26-14-16-28-50(48)51)29-17-19-33-69(60(76)81-40-44-23-11-8-12-24-44)38-46(82-55-30-18-20-34-78-55)31-32-64-58(74)79-39-43-21-9-7-10-22-43/h7-16,21-28,37,42,46,51-53,55H,17-20,29-36,38-41H2,1-6H3,(H,64,74)(H,65,72)(H,67,73)(H,68,75)/t46-,52+,53+,55?/m1/s1