(2S,3S)-2-[[2-[[4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-1-oxidanyl-3-oxidanylidene-5-phenyl-pentyl]amino]-3-phenyl-propanoyl]amino]-N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-[[2-[[4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-1-oxidanyl-3-oxidanylidene-5-phenyl-pentyl]amino]-3-phenyl-propanoyl]amino]-N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-pentanamide Openeye Name: (2S,3S)-2-[[2-[[4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-1-hydroxy-3-oxo-5-phenyl-pentyl]amino]-3-phenyl-propanoyl]amino]-N-[(1S)-1-carbamoyl-2-methyl-propyl]-3-methyl-pentanamide CAS Name: (2S,3S)-2-[[2-[[4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-hydroxy-3-oxo-5-phenylpentyl]amino]-1-oxo-3-phenylpropyl]amino]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-methylpentanamide IUPAC Name: (2S,3S)-2-[[2-[[4-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-1-hydroxy-3-oxo-5-phenylpentyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-methylpentanamide Traditional Name: (2S,3S)-2-[[2-[[4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-1-hydroxy-3-keto-5-phenyl-pentyl]amino]-3-phenyl-propanoyl]amino]-N-[(1S)-1-carbamoyl-2-methyl-propyl]-3-methyl-valeramide Formula: C44H67N7O8 MolecularWeight: 822.04488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(CC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(CC(=O)C(CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)O

InChI

InChI=1S/C44H67N7O8/c1-10-28(8)39(44(59)49-37(26(4)5)40(45)55)51-42(57)34(23-31-19-15-12-16-20-31)47-36(54)24-35(53)32(22-30-17-13-11-14-18-30)48-43(58)38(27(6)7)50-41(56)33(21-25(2)3)46-29(9)52/h11-20,25-28,32-34,36-39,47,54H,10,21-24H2,1-9H3,(H2,45,55)(H,46,52)(H,48,58)(H,49,59)(H,50,56)(H,51,57)/t28-,32?,33-,34?,36?,37-,38-,39-/m0/s1