(1-oxidanyl-3-oxidanylidene-propan-2-yl) 2-azanyl-4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-pyrrolidin-1-yl-butanoate

Systemtic Name: (1-oxidanyl-3-oxidanylidene-propan-2-yl) 2-azanyl-4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-pyrrolidin-1-yl-butanoate Openeye Name: (1-formyl-2-hydroxy-ethyl) 2-amino-4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-pyrrolidin-1-yl-butanoate CAS Name: 2-amino-4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-(1-pyrrolidinyl)butanoic acid (1-hydroxy-3-oxopropan-2-yl) ester IUPAC Name: (1-hydroxy-3-oxopropan-2-yl) 2-amino-4-(6-carbamimidoyl-1-ethylindol-2-yl)-2-pyrrolidin-1-ylbutanoate Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-amino-2-pyrrolidino-butyric acid (1-formyl-2-hydroxy-ethyl) ester Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)OC(CO)C=O)(N)N3CCCC3

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)OC(CO)C=O)(N)N3CCCC3

InChI

InChI=1S/C22H31N5O4/c1-2-27-17(11-15-5-6-16(20(23)24)12-19(15)27)7-8-22(25,26-9-3-4-10-26)21(30)31-18(13-28)14-29/h5-6,11-13,18,29H,2-4,7-10,14,25H2,1H3,(H3,23,24)