N-(3-azanyl-3-azanylidene-propyl)-4-[[4-[[(2S)-5-azanyl-3,4-dihydro-2H-pyrrol-2-yl]carbonylamino]-1H-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide; 2-oxidanylbenzoic acid

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-4-[[4-[[(2S)-5-azanyl-3,4-dihydro-2H-pyrrol-2-yl]carbonylamino]-1H-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide; 2-oxidanylbenzoic acid Openeye Name: 4-[[4-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-N-(3-amino-3-imino-propyl)-1-methyl-pyrrole-2-carboxamide; 2-hydroxybenzoic acid CAS Name: 4-[[[4-[[[(2S)-5-amino-3,4-dihydro-2H-pyrrol-2-yl]-oxomethyl]amino]-1H-pyrrol-2-yl]-oxomethyl]amino]-N-(3-amino-3-iminopropyl)-1-methyl-2-pyrrolecarboxamide; 2-hydroxybenzoic acid IUPAC Name: 4-[[4-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-N-(3-amino-3-iminopropyl)-1-methylpyrrole-2-carboxamide; 2-hydroxybenzoic acid Traditional Name: N-(3-amino-3-imino-propyl)-4-[[4-[[(2S)-5-amino-1-pyrroline-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxamide; salicylic acid Formula: C33H37N9O9 MolecularWeight: 703.70178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2)NC(=O)C3CCC(=N3)N.C1=CC=C(C(=C1)C(=O)O)O.C1=CC=C(C(=C1)C(=O)O)O

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2)NC(=O)[C@@H]3CCC(=N3)N.C1=CC=C(C(=C1)C(=O)O)O.C1=CC=C(C(=C1)C(=O)O)O

InChI

InChI=1S/C19H25N9O3.2C7H6O3/c1-28-9-11(7-14(28)19(31)23-5-4-15(20)21)26-18(30)13-6-10(8-24-13)25-17(29)12-2-3-16(22)27-12;2*8-6-4-2-1-3-5(6)7(9)10/h6-9,12,24H,2-5H2,1H3,(H3,20,21)(H2,22,27)(H,23,31)(H,25,29)(H,26,30);2*1-4,8H,(H,9,10)/t12-;;/m0../s1