2-azanyl-5-[[6-ethoxy-4-ethoxycarbonylsulfanyl-1,6-bis(oxidanylidene)-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[6-ethoxy-4-ethoxycarbonylsulfanyl-1,6-bis(oxidanylidene)-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[5-ethoxy-3-ethoxycarbonylsulfanyl-1-[(2-isopropoxy-2-oxo-ethyl)carbamoyl]-5-oxo-pentyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[6-ethoxy-4-(ethoxycarbonylthio)-1,6-dioxo-1-[(2-oxo-2-propan-2-yloxyethyl)amino]hexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[6-ethoxy-4-ethoxycarbonylsulfanyl-1,6-dioxo-1-[(2-oxo-2-propan-2-yloxyethyl)amino]hexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[3-(carbethoxythio)-5-ethoxy-1-[(2-isopropoxy-2-keto-ethyl)carbamoyl]-5-keto-pentyl]amino]-5-keto-valeric acid Formula: C21H35N3O10S MolecularWeight: 521.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(C(=O)NCC(=O)OC(C)C)NC(=O)CCC(C(=O)O)N)SC(=O)OCC

Isomeric SMILES

CCOC(=O)CC(CC(C(=O)NCC(=O)OC(C)C)NC(=O)CCC(C(=O)O)N)SC(=O)OCC

InChI

InChI=1S/C21H35N3O10S/c1-5-32-17(26)10-13(35-21(31)33-6-2)9-15(19(28)23-11-18(27)34-12(3)4)24-16(25)8-7-14(22)20(29)30/h12-15H,5-11,22H2,1-4H3,(H,23,28)(H,24,25)(H,29,30)