5-azanyl-N-(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)-N-[2-(2-azanylpropanoylamino)-3-methyl-butanoyl]-4-oxidanyl-6-phenyl-hexanamide

Systemtic Name: 5-azanyl-N-(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)-N-[2-(2-azanylpropanoylamino)-3-methyl-butanoyl]-4-oxidanyl-6-phenyl-hexanamide Openeye Name: 5-amino-N-[2-(2-aminopropanoylamino)-3-methyl-butanoyl]-N-(1-carbamoyl-2-methyl-propyl)-4-hydroxy-6-phenyl-hexanamide CAS Name: 5-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-[2-[(2-amino-1-oxopropyl)amino]-3-methyl-1-oxobutyl]-4-hydroxy-6-phenylhexanamide IUPAC Name: 5-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-[2-(2-aminopropanoylamino)-3-methylbutanoyl]-4-hydroxy-6-phenylhexanamide Traditional Name: N-[2-(alanylamino)-3-methyl-butanoyl]-5-amino-N-(1-carbamoyl-2-methyl-propyl)-4-hydroxy-6-phenyl-hexanamide Formula: C25H41N5O5 MolecularWeight: 491.62354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41N5O5/c1-14(2)21(29-24(34)16(5)26)25(35)30(22(15(3)4)23(28)33)20(32)12-11-19(31)18(27)13-17-9-7-6-8-10-17/h6-10,14-16,18-19,21-22,31H,11-13,26-27H2,1-5H3,(H2,28,33)(H,29,34)