2-[[1-[2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[1-[2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[[1-(2,6-diamino-1-oxohexyl)-2-pyrrolidinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[[1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[1-(2,6-diaminohexanoyl)prolyl]amino]-5-guanidino-valeric acid Formula: C17H33N7O4 MolecularWeight: 399.48842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)N)C(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)N)C(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C17H33N7O4/c18-8-2-1-5-11(19)15(26)24-10-4-7-13(24)14(25)23-12(16(27)28)6-3-9-22-17(20)21/h11-13H,1-10,18-19H2,(H,23,25)(H,27,28)(H4,20,21,22)