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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H27NO4
Molecular Weight 333.422
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((TRANS-4-((1S)-2-HYDROXY-1-METHYLETHYL)CYCLOHEXYL)CARBONYL)-D-PHENYLALANINE

SMILES

CC(CO)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(O)=O

InChI

InChIKey=GMHTWYIGIMINLF-MWQQHZPXSA-N
InChI=1S/C19H27NO4/c1-13(12-21)15-7-9-16(10-8-15)18(22)20-17(19(23)24)11-14-5-3-2-4-6-14/h2-6,13,15-17,21H,7-12H2,1H3,(H,20,22)(H,23,24)/t13-,15-,16-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H27NO4
Molecular Weight 333.422
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
N364WXG0U3
Record Status Validated (UNII)
Record Version