2-azanyl-2-[3-[bis(azanyl)methylideneamino]propyl]-4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-3-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-2-[3-[bis(azanyl)methylideneamino]propyl]-4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-3-oxidanylidene-pentanoic acid Openeye Name: 2-amino-4-(2,5-dioxopyrrol-1-yl)-2-(3-guanidinopropyl)-3-oxo-pentanoic acid CAS Name: 2-amino-2-[3-(diaminomethylideneamino)propyl]-4-(2,5-dioxo-1-pyrrolyl)-3-oxopentanoic acid IUPAC Name: 2-amino-2-[3-(diaminomethylideneamino)propyl]-4-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid Traditional Name: 2-amino-2-(3-guanidinopropyl)-3-keto-4-maleimido-valeric acid Formula: C13H19N5O5 MolecularWeight: 325.32046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(CCCN=C(N)N)(C(=O)O)N)N1C(=O)C=CC1=O

Isomeric SMILES

CC(C(=O)C(CCCN=C(N)N)(C(=O)O)N)N1C(=O)C=CC1=O

InChI

InChI=1S/C13H19N5O5/c1-7(18-8(19)3-4-9(18)20)10(21)13(16,11(22)23)5-2-6-17-12(14)15/h3-4,7H,2,5-6,16H2,1H3,(H,22,23)(H4,14,15,17)