cyclohexyl (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-[[(2S)-3-naphthalen-1-yl-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: cyclohexyl (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-[[(2S)-3-naphthalen-1-yl-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoate Openeye Name: cyclohexyl (4S)-5-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-benzyloxy-1-(1-naphthylmethyl)-2-oxo-ethyl]carbamoyl]-5-[(2-chlorophenyl)methoxycarbonylamino]pentyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-5-oxo-pentanoate CAS Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-[[(2-chlorophenyl)methoxy-oxomethyl]amino]-1-[[(2S)-3-(1-naphthalenyl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-[[(2S)-3-naphthalen-1-yl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]-5-oxopentanoate Traditional Name: (4S)-5-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-benzoxy-2-keto-1-(1-naphthylmethyl)ethyl]carbamoyl]-5-[(2-chlorobenzyl)oxycarbonylamino]pentyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-5-keto-valeric acid cyclohexyl ester Formula: C74H104ClN9O15 MolecularWeight: 1395.12186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC(CCC(=O)OC1CCCCC1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2Cl)C(=O)NC(CC3=CC=CC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5)NC(=O)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)OC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OCC2=CC=CC=C2Cl)C(=O)N[C@@H](CC3=CC=CC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C74H104ClN9O15/c1-45(2)39-59(81-65(87)49(8)78-73(95)99-74(9,10)11)68(90)77-48(7)64(86)79-58(36-37-63(85)98-54-31-16-13-17-32-54)67(89)82-61(41-47(5)6)70(92)83-60(40-46(3)4)69(91)80-57(35-22-23-38-76-72(94)97-44-53-28-19-21-34-56(53)75)66(88)84-62(71(93)96-43-50-25-14-12-15-26-50)42-52-30-24-29-51-27-18-20-33-55(51)52/h12,14-15,18-21,24-30,33-34,45-49,54,57-62H,13,16-17,22-23,31-32,35-44H2,1-11H3,(H,76,94)(H,77,90)(H,78,95)(H,79,86)(H,80,91)(H,81,87)(H,82,89)(H,83,92)(H,84,88)/t48-,49-,57-,58-,59-,60-,61-,62-/m0/s1