(4-nitrophenyl)methyl 2-[[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-4-(phenylmethoxycarbonylamino)butanoyl]amino]-3-naphthalen-2-yl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-4-(phenylmethoxycarbonylamino)butanoyl]amino]-3-naphthalen-2-yl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[[(2R)-1-[(2S)-2-[[(2R)-4-(benzyloxycarbonylamino)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-tert-butoxyphenyl)propanoyl]amino]butanoyl]amino]-3-(2-naphthyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetate CAS Name: 2-[[[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropyl]amino]-1-oxo-4-(phenylmethoxycarbonylamino)butyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-4-(phenylmethoxycarbonylamino)butanoyl]amino]-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carbonyl]amino]acetate Traditional Name: 2-[[(2R)-1-[(2S)-2-[[(2R)-4-(benzyloxycarbonylamino)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-tert-butoxyphenyl)propanoyl]amino]butanoyl]amino]-3-(2-naphthyl)propanoyl]prolyl]amino]acetic acid (4-nitrobenzyl) ester Formula: C57H67N7O13 MolecularWeight: 1058.18098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)NC(CCNC(=O)OCC2=CC=CC=C2)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)N5CCCC5C(=O)NCC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](CCNC(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)N5CCC[C@@H]5C(=O)NCC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C57H67N7O13/c1-56(2,3)76-44-26-21-37(22-27-44)32-46(62-55(71)77-57(4,5)6)51(67)60-45(28-29-58-54(70)75-36-38-13-8-7-9-14-38)50(66)61-47(33-40-18-23-41-15-10-11-16-42(41)31-40)53(69)63-30-12-17-48(63)52(68)59-34-49(65)74-35-39-19-24-43(25-20-39)64(72)73/h7-11,13-16,18-27,31,45-48H,12,17,28-30,32-36H2,1-6H3,(H,58,70)(H,59,68)(H,60,67)(H,61,66)(H,62,71)/t45-,46+,47+,48-/m1/s1