(Z)-3-[4-[3-[[4-aminocarbonyl-2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]methyl]phenyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-3-[4-[3-[[4-aminocarbonyl-2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]methyl]phenyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-[1-tert-butoxycarbonyl-4-[3-[[2-[(1S)-1-(tert-butoxycarbonylamino)-2-methyl-propyl]-4-carbamoyl-oxazol-5-yl]methyl]phenyl]indol-3-yl]-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-3-[4-[3-[[4-carbamoyl-2-[(1S)-2-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-5-oxazolyl]methyl]phenyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate IUPAC Name: (Z)-3-[4-[3-[[4-carbamoyl-2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-5-yl]methyl]phenyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-3-[1-tert-butoxycarbonyl-4-[3-[[2-[(1S)-1-(tert-butoxycarbonylamino)-2-methyl-propyl]-4-carbamoyl-oxazol-5-yl]methyl]phenyl]indol-3-yl]-2-diazonio-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C38H44N6O9 MolecularWeight: 728.79076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=CN(C2=CC=CC(=C21)C3=CC(=CC=C3)CC4=C(N=C(O4)C(C(C)C)NC(=O)OC(C)(C)C)C(=O)N)C(=O)OC(C)(C)C)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(/C(=O)C1=CN(C2=CC=CC(=C21)C3=CC(=CC=C3)CC4=C(N=C(O4)[C@H](C(C)C)NC(=O)OC(C)(C)C)C(=O)N)C(=O)OC(C)(C)C)\[N+]#N)/[O-]

InChI

InChI=1S/C38H44N6O9/c1-10-50-34(47)30(43-40)31(45)24-19-44(36(49)53-38(7,8)9)25-16-12-15-23(27(24)25)22-14-11-13-21(17-22)18-26-29(32(39)46)41-33(51-26)28(20(2)3)42-35(48)52-37(4,5)6/h11-17,19-20,28H,10,18H2,1-9H3,(H3-,39,42,45,46,47,48)/t28-/m0/s1