3-[[3-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-phenyl]carbonylamino]propanoic acid; methanoic acid

Systemtic Name: 3-[[3-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-phenyl]carbonylamino]propanoic acid; methanoic acid Openeye Name: 3-[[3-[(2-amino-5-guanidino-pentanoyl)amino]-4-methyl-benzoyl]amino]propanoic acid; formic acid CAS Name: 3-[[[3-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methylphenyl]-oxomethyl]amino]propanoic acid; formic acid IUPAC Name: 3-[[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylbenzoyl]amino]propanoic acid; formic acid Traditional Name: 3-[[3-[(2-amino-5-guanidino-pentanoyl)amino]-4-methyl-benzoyl]amino]propionic acid; formic acid Formula: C18H28N6O6 MolecularWeight: 424.45152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCC(=O)O)NC(=O)C(CCCN=C(N)N)N.C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC(=O)O)NC(=O)C(CCCN=C(N)N)N.C(=O)O

InChI

InChI=1S/C17H26N6O4.CH2O2/c1-10-4-5-11(15(26)21-8-6-14(24)25)9-13(10)23-16(27)12(18)3-2-7-22-17(19)20;2-1-3/h4-5,9,12H,2-3,6-8,18H2,1H3,(H,21,26)(H,23,27)(H,24,25)(H4,19,20,22);1H,(H,2,3)