methyl (2S)-2-[[3-carbamimidoyl-1-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]indol-7-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[3-carbamimidoyl-1-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]indol-7-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[3-carbamimidoyl-1-[2-oxo-2-(3-pyridylamino)ethyl]indole-7-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[3-carbamimidoyl-1-[2-oxo-2-(3-pyridinylamino)ethyl]-7-indolyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-carbamimidoyl-1-[2-oxo-2-(pyridin-3-ylamino)ethyl]indole-7-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[3-amidino-1-[2-keto-2-(3-pyridylamino)ethyl]indole-7-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C24H28N6O4 MolecularWeight: 464.51692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=CC=CC2=C1N(C=C2C(=N)N)CC(=O)NC3=CN=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)C1=CC=CC2=C1N(C=C2C(=N)N)CC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C24H28N6O4/c1-14(2)10-19(24(33)34-3)29-23(32)17-8-4-7-16-18(22(25)26)12-30(21(16)17)13-20(31)28-15-6-5-9-27-11-15/h4-9,11-12,14,19H,10,13H2,1-3H3,(H3,25,26)(H,28,31)(H,29,32)/t19-/m0/s1