3-[[(2S)-1-[(5-carbamimidoyl-1H-indol-2-yl)carbonyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[(2S)-1-[(5-carbamimidoyl-1H-indol-2-yl)carbonyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[(2S)-1-(5-carbamimidoyl-1H-indole-2-carbonyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[(2S)-1-[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[(2S)-1-(5-carbamimidoyl-1H-indole-2-carbonyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[(2S)-1-(5-amidino-1H-indole-2-carbonyl)prolyl]amino]-3-phenyl-propionic acid Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)N)C(=O)NC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)N)C(=O)NC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O4/c25-22(26)15-8-9-17-16(11-15)12-19(27-17)24(33)29-10-4-7-20(29)23(32)28-18(13-21(30)31)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,18,20,27H,4,7,10,13H2,(H3,25,26)(H,28,32)(H,30,31)/t18?,20-/m0/s1