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

Systemtic Name: 2-[(2-azanyl-3-methyl-butanoyl)-[5-(2-azanylpropanoylamino)-4-oxidanyl-6-phenyl-hexanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[(2-amino-3-methyl-butanoyl)-[5-(2-aminopropanoylamino)-4-hydroxy-6-phenyl-hexanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[(2-amino-3-methyl-1-oxobutyl)-[5-[(2-amino-1-oxopropyl)amino]-4-hydroxy-1-oxo-6-phenylhexyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-amino-3-methylbutanoyl)-[5-(2-aminopropanoylamino)-4-hydroxy-6-phenylhexanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[5-(alanylamino)-4-hydroxy-6-phenyl-hexanoyl]-(2-amino-3-methyl-butanoyl)amino]-3-methyl-butyric acid Formula: C25H40N4O6 MolecularWeight: 492.6083

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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)NC(=O)C(C)N)O)N

Isomeric SMILES

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

InChI

InChI=1S/C25H40N4O6/c1-14(2)21(27)24(33)29(22(15(3)4)25(34)35)20(31)12-11-19(30)18(28-23(32)16(5)26)13-17-9-7-6-8-10-17/h6-10,14-16,18-19,21-22,30H,11-13,26-27H2,1-5H3,(H,28,32)(H,34,35)