tert-butyl (3S)-4-[[(2S)-1-[[2-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]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-phenyl-propanoyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl (3S)-4-[[(2S)-1-[[2-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]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-phenyl-propanoyl]amino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[(1S)-1-[[2-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoate CAS Name: (3S)-4-[[(2S)-1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]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]-1-oxo-3-phenylpropyl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[[(2S)-1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]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-phenylpropanoyl]amino]-4-oxobutanoate Traditional Name: (3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[(1S)-1-[[2-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid tert-butyl ester Formula: C46H68N8O12 MolecularWeight: 925.07852

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C46H68N8O12/c1-25(2)36(38(47)58)53-34(56)24-48-43(63)37(26(3)4)54-42(62)33(23-35(57)65-45(6,7)8)51-41(61)31(21-28-15-13-12-14-16-28)50-39(59)27(5)49-40(60)32(52-44(64)66-46(9,10)11)22-29-17-19-30(55)20-18-29/h12-20,25-27,31-33,36-37,55H,21-24H2,1-11H3,(H2,47,58)(H,48,63)(H,49,60)(H,50,59)(H,51,61)(H,52,64)(H,53,56)(H,54,62)/t27-,31+,32+,33+,36+,37+/m1/s1