tert-butyl 3-[3-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]propanoylamino]propanoate

Systemtic Name: tert-butyl 3-[3-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]propanoylamino]propanoate Openeye Name: tert-butyl 3-[3-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]propanoylamino]propanoate CAS Name: 3-[[3-[[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]propanoylamino]propanoate Traditional Name: 3-[3-[(5-amidino-1H-indole-2-carbonyl)amino]propanoylamino]propionic acid tert-butyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC(=O)CCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CCNC(=O)CCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)N

InChI

InChI=1S/C20H27N5O4/c1-20(2,3)29-17(27)7-9-23-16(26)6-8-24-19(28)15-11-13-10-12(18(21)22)4-5-14(13)25-15/h4-5,10-11,25H,6-9H2,1-3H3,(H3,21,22)(H,23,26)(H,24,28)