2-(2-azanyl-3-methyl-pentanoyl)-2-[(2-azanyl-3-oxidanyl-butanoyl)-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-phenylmethoxycarbonyl-butanedioic acid; 2-fluoranylethanal

Systemtic Name: 2-(2-azanyl-3-methyl-pentanoyl)-2-[(2-azanyl-3-oxidanyl-butanoyl)-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-phenylmethoxycarbonyl-butanedioic acid; 2-fluoranylethanal Openeye Name: 2-[(2-amino-3-hydroxy-butanoyl)-(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-2-(2-amino-3-methyl-pentanoyl)-3-benzyloxycarbonyl-butanedioic acid; 2-fluoroacetaldehyde CAS Name: 2-[(2-amino-5-hydroxy-1,5-dioxopentyl)-(2-amino-3-hydroxy-1-oxobutyl)amino]-2-(2-amino-3-methyl-1-oxopentyl)-3-phenylmethoxycarbonylbutanedioic acid; 2-fluoroacetaldehyde IUPAC Name: 2-[(2-amino-3-hydroxybutanoyl)-(2-amino-5-hydroxy-5-oxopentanoyl)amino]-2-(2-amino-3-methylpentanoyl)-3-phenylmethoxycarbonylbutanedioic acid; 2-fluoroacetaldehyde Traditional Name: 2-[(2-amino-3-hydroxy-butanoyl)-(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-2-(2-amino-3-methyl-pentanoyl)-3-carbobenzoxy-succinic acid; 2-fluoroacetaldehyde Formula: C29H41FN4O13 MolecularWeight: 672.653243

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C(C(C(=O)O)C(=O)OCC1=CC=CC=C1)(C(=O)O)N(C(=O)C(CCC(=O)O)N)C(=O)C(C(C)O)N)N.C(C=O)F

Isomeric SMILES

CCC(C)C(C(=O)C(C(C(=O)O)C(=O)OCC1=CC=CC=C1)(C(=O)O)N(C(=O)C(CCC(=O)O)N)C(=O)C(C(C)O)N)N.C(C=O)F

InChI

InChI=1S/C27H38N4O12.C2H3FO/c1-4-13(2)19(29)21(35)27(26(41)42,18(24(38)39)25(40)43-12-15-8-6-5-7-9-15)31(23(37)20(30)14(3)32)22(36)16(28)10-11-17(33)34;3-1-2-4/h5-9,13-14,16,18-20,32H,4,10-12,28-30H2,1-3H3,(H,33,34)(H,38,39)(H,41,42);2H,1H2