(2S)-2-[[(2S)-2-azanyl-3-cyclohexyl-propanoyl]amino]-3-methyl-N-[(2S,3R,4S)-6-methyl-1-naphthalen-1-yl-3,4-bis(oxidanyl)heptan-2-yl]pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-cyclohexyl-propanoyl]amino]-3-methyl-N-[(2S,3R,4S)-6-methyl-1-naphthalen-1-yl-3,4-bis(oxidanyl)heptan-2-yl]pentanamide Openeye Name: (2S)-2-[[(2S)-2-amino-3-cyclohexyl-propanoyl]amino]-N-[(1S,2R,3S)-2,3-dihydroxy-5-methyl-1-(1-naphthylmethyl)hexyl]-3-methyl-pentanamide CAS Name: (2S)-2-[[(2S)-2-amino-3-cyclohexyl-1-oxopropyl]amino]-N-[(2S,3R,4S)-3,4-dihydroxy-6-methyl-1-(1-naphthalenyl)heptan-2-yl]-3-methylpentanamide IUPAC Name: (2S)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-N-[(2S,3R,4S)-3,4-dihydroxy-6-methyl-1-naphthalen-1-ylheptan-2-yl]-3-methylpentanamide Traditional Name: (2S)-2-[[(2S)-2-amino-3-cyclohexyl-propanoyl]amino]-N-[(1S,2R,3S)-2,3-dihydroxy-5-methyl-1-(1-naphthylmethyl)hexyl]-3-methyl-valeramide Formula: C33H51N3O4 MolecularWeight: 553.77574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC2=CC=CC=C21)C(C(CC(C)C)O)O)NC(=O)C(CC3CCCCC3)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC2=CC=CC=C21)[C@H]([C@H](CC(C)C)O)O)NC(=O)[C@H](CC3CCCCC3)N

InChI

InChI=1S/C33H51N3O4/c1-5-22(4)30(36-32(39)27(34)19-23-12-7-6-8-13-23)33(40)35-28(31(38)29(37)18-21(2)3)20-25-16-11-15-24-14-9-10-17-26(24)25/h9-11,14-17,21-23,27-31,37-38H,5-8,12-13,18-20,34H2,1-4H3,(H,35,40)(H,36,39)/t22?,27-,28-,29-,30-,31+/m0/s1