2-azanyl-2-[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonyl-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-azanyl-2-[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonyl-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-amino-2-[1-(2-amino-3-phenyl-propanoyl)pyrrolidine-2-carbonyl]-5-guanidino-pentanoic acid CAS Name: 2-amino-2-[[1-(2-amino-1-oxo-3-phenylpropyl)-2-pyrrolidinyl]-oxomethyl]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-amino-2-[1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carbonyl]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-amino-5-guanidino-2-(1-phenylalanylprolyl)valeric acid Formula: C20H30N6O4 MolecularWeight: 418.49

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)C(CCCN=C(N)N)(C(=O)O)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)C(CCCN=C(N)N)(C(=O)O)N

InChI

InChI=1S/C20H30N6O4/c21-14(12-13-6-2-1-3-7-13)17(28)26-11-4-8-15(26)16(27)20(24,18(29)30)9-5-10-25-19(22)23/h1-3,6-7,14-15H,4-5,8-12,21,24H2,(H,29,30)(H4,22,23,25)