(3S)-3-[[(2S)-2-(2-acetamidoethanoylamino)-4-methyl-pentanoyl]amino]-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-(2-acetamidoethanoylamino)-4-methyl-pentanoyl]amino]-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[(2-acetamidoacetyl)amino]-4-methyl-pentanoyl]amino]-4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-methyl-amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[(2-acetamido-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[(2-acetamidoacetyl)amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[(2-acetamidoacetyl)amino]-4-methyl-pentanoyl]amino]-4-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]-methyl-amino]-4-keto-butyric acid Formula: C24H35N5O7 MolecularWeight: 505.564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)CNC(=O)C

InChI

InChI=1S/C24H35N5O7/c1-14(2)10-17(27-20(31)13-26-15(3)30)23(35)28-18(12-21(32)33)24(36)29(4)19(22(25)34)11-16-8-6-5-7-9-16/h5-9,14,17-19H,10-13H2,1-4H3,(H2,25,34)(H,26,30)(H,27,31)(H,28,35)(H,32,33)/t17-,18-,19-/m0/s1