1-[2-[2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]propanoyl]proline Formula: C29H45N9O8 MolecularWeight: 647.7231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(C)C(=O)N2CCCC2C(=O)O)N)O

Isomeric SMILES

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(C)C(=O)N2CCCC2C(=O)O)N)O

InChI

InChI=1S/C29H45N9O8/c1-16(27(44)38-13-7-11-21(38)28(45)46)35-22(40)15-34-24(41)19(10-6-12-33-29(31)32)36-25(42)20(14-18-8-4-3-5-9-18)37-26(43)23(30)17(2)39/h3-5,8-9,16-17,19-21,23,39H,6-7,10-15,30H2,1-2H3,(H,34,41)(H,35,40)(H,36,42)(H,37,43)(H,45,46)(H4,31,32,33)