methyl (2S)-2-acetamido-3-[2-[3-[(2S)-2-acetamido-3-diazanyl-3-oxidanylidene-propyl]-1H-indol-2-yl]-1H-indol-3-yl]propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-[2-[3-[(2S)-2-acetamido-3-diazanyl-3-oxidanylidene-propyl]-1H-indol-2-yl]-1H-indol-3-yl]propanoate Openeye Name: methyl (2S)-2-acetamido-3-[2-[3-[(2S)-2-acetamido-3-hydrazino-3-oxo-propyl]-1H-indol-2-yl]-1H-indol-3-yl]propanoate CAS Name: (2S)-2-acetamido-3-[2-[3-[(2S)-2-acetamido-3-hydrazinyl-3-oxopropyl]-1H-indol-2-yl]-1H-indol-3-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-[2-[3-[(2S)-2-acetamido-3-hydrazinyl-3-oxopropyl]-1H-indol-2-yl]-1H-indol-3-yl]propanoate Traditional Name: (2S)-2-acetamido-3-[2-[3-[(2S)-2-acetamido-3-hydrazino-3-keto-propyl]-1H-indol-2-yl]-1H-indol-3-yl]propionic acid methyl ester Formula: C27H30N6O5 MolecularWeight: 518.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CC(C(=O)OC)NC(=O)C)C(=O)NN

Isomeric SMILES

CC(=O)N[C@@H](CC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)C[C@@H](C(=O)OC)NC(=O)C)C(=O)NN

InChI

InChI=1S/C27H30N6O5/c1-14(34)29-22(26(36)33-28)12-18-16-8-4-6-10-20(16)31-24(18)25-19(17-9-5-7-11-21(17)32-25)13-23(27(37)38-3)30-15(2)35/h4-11,22-23,31-32H,12-13,28H2,1-3H3,(H,29,34)(H,30,35)(H,33,36)/t22-,23-/m0/s1