(2S,3S)-N,3-dimethyl-2-[[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(E)-3-methylsulfanylprop-2-enoyl]amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]pentanamide

Systemtic Name: (2S,3S)-N,3-dimethyl-2-[[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(E)-3-methylsulfanylprop-2-enoyl]amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]pentanamide Openeye Name: (2S,3S)-N,3-dimethyl-2-[[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(E)-3-methylsulfanylprop-2-enoyl]amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]pentanamide CAS Name: (2S,3S)-N,3-dimethyl-2-[[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(E)-3-(methylthio)-1-oxoprop-2-enyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]-1-oxobutyl]amino]-1-oxobutyl]amino]pentanamide IUPAC Name: (2S,3S)-N,3-dimethyl-2-[[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(E)-3-methylsulfanylprop-2-enoyl]amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]pentanamide Traditional Name: (2S,3S)-N,3-dimethyl-2-[[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(E)-3-(methylthio)acryloyl]amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]valeramide Formula: C34H62N6O6S MolecularWeight: 682.95768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)CC)N(C)C(=O)C(C)N(C)C(=O)C=CSC

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)/C=C/SC

InChI

InChI=1S/C34H62N6O6S/c1-16-22(7)26(30(42)35-10)36-31(43)27(20(3)4)38(12)33(45)28(21(5)6)39(13)34(46)29(23(8)17-2)40(14)32(44)24(9)37(11)25(41)18-19-47-15/h18-24,26-29H,16-17H2,1-15H3,(H,35,42)(H,36,43)/b19-18+/t22-,23-,24-,26-,27-,28-,29-/m0/s1