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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H30N4O6
Molecular Weight 530.5717
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEOXYTRYPTOQUIVALINE

SMILES

CC(C)[C@H](OC(C)=O)C1=NC2=C(C=CC=C2)C(=O)N1[C@@H]3C[C@@]4(OC3=O)[C@@H]5NC(C)(C)C(=O)N5C6=CC=CC=C46

InChI

InChIKey=IMOPNDYCCIZBPJ-STOWFVKWSA-N
InChI=1S/C29H30N4O6/c1-15(2)22(38-16(3)34)23-30-19-12-8-6-10-17(19)24(35)32(23)21-14-29(39-25(21)36)18-11-7-9-13-20(18)33-26(29)31-28(4,5)27(33)37/h6-13,15,21-22,26,31H,14H2,1-5H3/t21-,22+,26-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H30N4O6
Molecular Weight 530.5717
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
M7VX9GXW7A
Record Status Validated (UNII)
Record Version