2-[[1-[6-azanyl-2-[[2-[[2-[[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[1-[6-azanyl-2-[[2-[[2-[[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[1-[6-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[[1-[6-amino-2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[1-[6-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[1-[6-amino-2-[[2-[[2-[[2-(glycylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]prolyl]amino]-3-hydroxy-butyric acid Formula: C44H58N8O10 MolecularWeight: 858.97892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)CN)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)CN)O

InChI

InChI=1S/C44H58N8O10/c1-27(53)38(44(61)62)51-42(59)36-16-10-22-52(36)43(60)32(15-8-9-21-45)48-40(57)35(25-30-17-19-31(54)20-18-30)50-41(58)34(24-29-13-6-3-7-14-29)49-39(56)33(47-37(55)26-46)23-28-11-4-2-5-12-28/h2-7,11-14,17-20,27,32-36,38,53-54H,8-10,15-16,21-26,45-46H2,1H3,(H,47,55)(H,48,57)(H,49,56)(H,50,58)(H,51,59)(H,61,62)