(3S,4S)-4-[[(2S)-6-azanyl-2-[[(2S)-2-(dimethylsulfamoylamino)-3-phenyl-propanoyl]amino]hexanoyl]amino]-6-methyl-N-[(2S)-2-methylbutyl]-3-oxidanyl-heptanamide

Systemtic Name: (3S,4S)-4-[[(2S)-6-azanyl-2-[[(2S)-2-(dimethylsulfamoylamino)-3-phenyl-propanoyl]amino]hexanoyl]amino]-6-methyl-N-[(2S)-2-methylbutyl]-3-oxidanyl-heptanamide Openeye Name: (3S,4S)-4-[[(2S)-6-amino-2-[[(2S)-2-(dimethylsulfamoylamino)-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-hydroxy-6-methyl-N-[(2S)-2-methylbutyl]heptanamide CAS Name: (3S,4S)-4-[[(2S)-6-amino-2-[[(2S)-2-(dimethylsulfamoylamino)-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-3-hydroxy-6-methyl-N-[(2S)-2-methylbutyl]heptanamide IUPAC Name: (3S,4S)-4-[[(2S)-6-amino-2-[[(2S)-2-(dimethylsulfamoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-hydroxy-6-methyl-N-[(2S)-2-methylbutyl]heptanamide Traditional Name: (3S,4S)-4-[[(2S)-6-amino-2-[[(2S)-2-(dimethylsulfamoylamino)-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-hydroxy-6-methyl-N-[(2S)-2-methylbutyl]enanthamide Formula: C30H54N6O6S MolecularWeight: 626.85136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)CC(C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)N(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C30H54N6O6S/c1-7-22(4)20-32-28(38)19-27(37)25(17-21(2)3)34-29(39)24(15-11-12-16-31)33-30(40)26(35-43(41,42)36(5)6)18-23-13-9-8-10-14-23/h8-10,13-14,21-22,24-27,35,37H,7,11-12,15-20,31H2,1-6H3,(H,32,38)(H,33,40)(H,34,39)/t22-,24-,25-,26-,27-/m0/s1