(2S)-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]butanediamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]butanediamide Openeye Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]butanediamide CAS Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]butanediamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]butanediamide Traditional Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]succinamide Formula: C23H36N6O6 MolecularWeight: 492.56854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N6O6/c1-12(2)9-16(29-23(35)19(25)13(3)30)21(33)28-17(11-18(24)31)22(34)27-15(20(26)32)10-14-7-5-4-6-8-14/h4-8,12-13,15-17,19,30H,9-11,25H2,1-3H3,(H2,24,31)(H2,26,32)(H,27,34)(H,28,33)(H,29,35)/t13-,15+,16+,17+,19+/m1/s1