tert-butyl (3S)-4-[[(2S)-1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl (3S)-4-[[(2S)-1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl (3S)-4-[[(1S)-1-[[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-4-oxo-butanoate CAS Name: (3S)-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(4-nitrophenyl)-1-oxopropyl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-4-oxobutanoate Traditional Name: (3S)-4-[[(1S)-1-[[(1S)-1-[(2-amino-2-keto-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-4-keto-butyric acid tert-butyl ester Formula: C46H67N9O14 MolecularWeight: 970.07608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)NCC(=O)N)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C46H67N9O14/c1-24(2)36(42(63)48-23-34(47)57)54-43(64)37(25(3)4)53-41(62)33(22-35(58)68-45(6,7)8)51-40(61)31(20-27-12-16-29(17-13-27)55(66)67)50-38(59)26(5)49-39(60)32(52-44(65)69-46(9,10)11)21-28-14-18-30(56)19-15-28/h12-19,24-26,31-33,36-37,56H,20-23H2,1-11H3,(H2,47,57)(H,48,63)(H,49,60)(H,50,59)(H,51,61)(H,52,65)(H,53,62)(H,54,64)/t26-,31+,32+,33+,36+,37+/m1/s1