2-[[1-[6-azanyl-2-(2-azanylethanoylamino)hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-[6-azanyl-2-(2-azanylethanoylamino)hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[6-amino-2-[(2-amino-1-oxoethyl)amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[6-amino-2-(glycylamino)hexanoyl]prolyl]amino]-3-phenyl-propionic acid Formula: C22H33N5O5 MolecularWeight: 447.52792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)CN)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)CN)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H33N5O5/c23-11-5-4-9-16(25-19(28)14-24)21(30)27-12-6-10-18(27)20(29)26-17(22(31)32)13-15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14,23-24H2,(H,25,28)(H,26,29)(H,31,32)