1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-N-[1-[[1-[2-[3-[[2-[2-azanylpropanoyl-(4-fluorophenyl)amino]-3-oxidanyl-propanoyl]amino]-3-oxidanylidene-propanoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-N-[1-[[1-[2-[3-[[2-[2-azanylpropanoyl-(4-fluorophenyl)amino]-3-oxidanyl-propanoyl]amino]-3-oxidanylidene-propanoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[1-[[1-[2-[3-[[2-[N-(2-aminopropanoyl)-4-fluoro-anilino]-3-hydroxy-propanoyl]amino]-3-oxo-propanoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-N-[1-[[1-[2-[3-[[2-(N-(2-amino-1-oxopropyl)-4-fluoroanilino)-3-hydroxy-1-oxopropyl]amino]-1,3-dioxopropyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[1-[[1-[2-[3-[[2-[N-(2-aminopropanoyl)-4-fluoroanilino]-3-hydroxypropanoyl]amino]-3-oxopropanoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide Traditional Name: N-[1-[[1-[2-[3-[[2-(N-alanyl-4-fluoro-anilino)-3-hydroxy-propanoyl]amino]-3-keto-propanoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]-1-tyrosyl-pyrrolidine-2-carboxamide Formula: C45H64FN11O10 MolecularWeight: 938.055763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)CC(=O)NC(=O)C(CO)N(C2=CC=C(C=C2)F)C(=O)C(C)N)NC(=O)C3CCCN3C(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)CC(=O)NC(=O)C(CO)N(C2=CC=C(C=C2)F)C(=O)C(C)N)NC(=O)C3CCCN3C(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C45H64FN11O10/c1-25(2)21-33(53-40(63)35-9-6-20-56(35)43(66)31(48)22-27-10-16-30(59)17-11-27)39(62)52-32(7-4-18-51-45(49)50)44(67)55-19-5-8-34(55)37(60)23-38(61)54-41(64)36(24-58)57(42(65)26(3)47)29-14-12-28(46)13-15-29/h10-17,25-26,31-36,58-59H,4-9,18-24,47-48H2,1-3H3,(H,52,62)(H,53,63)(H4,49,50,51)(H,54,61,64)