4-azanyl-5-[[2-[[1-[2-[[2-[[1-(carboxymethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[2-[[1-[2-[[2-[[1-(carboxymethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[2-[[2-[2-[[2-[[2-(carboxymethylamino)-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[2-[[1-[2-[[[2-[[1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[2-[[1-[2-[[2-[[1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[2-[[2-[2-[[2-[[2-(carboxymethylamino)-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]carbamoyl]pyrrolidino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C25H37N9O11 MolecularWeight: 639.61498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)CNC(=O)C(CCC(=O)O)N)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)CNC(=O)C(CCC(=O)O)N)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)O

InChI

InChI=1S/C25H37N9O11/c26-14(3-4-20(38)39)22(42)28-8-18(36)32-15(6-13-7-27-12-31-13)25(45)34-5-1-2-17(34)24(44)29-9-19(37)33-16(11-35)23(43)30-10-21(40)41/h7,12,14-17,35H,1-6,8-11,26H2,(H,27,31)(H,28,42)(H,29,44)(H,30,43)(H,32,36)(H,33,37)(H,38,39)(H,40,41)