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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H59N5O6
Molecular Weight 669.8943
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALDORAMIDE

SMILES

CC[C@H](C)[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(=O)N1[C@@H](CC2=CC=CC=C2)C(OC)=CC1=O

InChI

InChIKey=MQACVRQXFMGXAV-VAJPBVADSA-N
InChI=1S/C37H59N5O6/c1-14-25(8)33(37(47)42-27(28(48-13)21-29(42)43)20-26-18-16-15-17-19-26)41(12)36(46)32(24(6)7)40(11)35(45)30(22(2)3)38-34(44)31(23(4)5)39(9)10/h15-19,21-25,27,30-33H,14,20H2,1-13H3,(H,38,44)/t25-,27-,30-,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H59N5O6
Molecular Weight 669.8943
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
9QZW82STF4
Record Status Validated (UNII)
Record Version