methyl 2-[[6-azanyl-2-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-prop-2-enyl-indol-1-ium-1-yl]hexanoyl]amino]pent-4-enoate

Systemtic Name: methyl 2-[[6-azanyl-2-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-prop-2-enyl-indol-1-ium-1-yl]hexanoyl]amino]pent-4-enoate Openeye Name: methyl 2-[[2-[1-allyl-3-(2-amino-2-oxo-ethyl)indol-1-ium-1-yl]-6-amino-hexanoyl]amino]pent-4-enoate CAS Name: 2-[[6-amino-2-[3-(2-amino-2-oxoethyl)-1-prop-2-enyl-1-indol-1-iumyl]-1-oxohexyl]amino]-4-pentenoic acid methyl ester IUPAC Name: methyl 2-[[6-amino-2-[3-(2-amino-2-oxoethyl)-1-prop-2-enylindol-1-ium-1-yl]hexanoyl]amino]pent-4-enoate Traditional Name: 2-[[2-[1-allyl-3-(2-amino-2-keto-ethyl)indol-1-ium-1-yl]-6-amino-hexanoyl]amino]pent-4-enoic acid methyl ester Formula: C25H35N4O4+ MolecularWeight: 455.5698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=C)NC(=O)C(CCCCN)[N+]1(C=C(C2=CC=CC=C21)CC(=O)N)CC=C

Isomeric SMILES

COC(=O)C(CC=C)NC(=O)C(CCCCN)[N+]1(C=C(C2=CC=CC=C21)CC(=O)N)CC=C

InChI

InChI=1S/C25H34N4O4/c1-4-10-20(25(32)33-3)28-24(31)22(13-8-9-14-26)29(15-5-2)17-18(16-23(27)30)19-11-6-7-12-21(19)29/h4-7,11-12,17,20,22H,1-2,8-10,13-16,26H2,3H3,(H2-,27,28,30,31)/p+1