2-[(5-azanyl-4-oxidanyl-6-phenyl-hexanoyl)-[2-[2-(2-azanylpropanoylamino)propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(5-azanyl-4-oxidanyl-6-phenyl-hexanoyl)-[2-[2-(2-azanylpropanoylamino)propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[(5-amino-4-hydroxy-6-phenyl-hexanoyl)-[2-[2-(2-aminopropanoylamino)propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[(5-amino-4-hydroxy-1-oxo-6-phenylhexyl)-[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(5-amino-4-hydroxy-6-phenylhexanoyl)-[2-[2-(2-aminopropanoylamino)propanoylamino]-3-methylbutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[2-(alanylamino)propanoylamino]-3-methyl-butanoyl]-(5-amino-4-hydroxy-6-phenyl-hexanoyl)amino]-3-methyl-butyric acid Formula: C28H45N5O7 MolecularWeight: 563.6862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C(C(C)C)C(=O)O)C(=O)CCC(C(CC1=CC=CC=C1)N)O)NC(=O)C(C)NC(=O)C(C)N

Isomeric SMILES

CC(C)C(C(=O)N(C(C(C)C)C(=O)O)C(=O)CCC(C(CC1=CC=CC=C1)N)O)NC(=O)C(C)NC(=O)C(C)N

InChI

InChI=1S/C28H45N5O7/c1-15(2)23(32-26(37)18(6)31-25(36)17(5)29)27(38)33(24(16(3)4)28(39)40)22(35)13-12-21(34)20(30)14-19-10-8-7-9-11-19/h7-11,15-18,20-21,23-24,34H,12-14,29-30H2,1-6H3,(H,31,36)(H,32,37)(H,39,40)