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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31N5O3
Molecular Weight 473.5667
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIBP-3435

SMILES

NC(=N)NCCC[C@H](NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NCC3=CC=C(O)C=C3

InChI

InChIKey=KUWBXRGRMQZCSS-QHCPKHFHSA-N
InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H31N5O3
Molecular Weight 473.5667
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
62WN57Y66D
Record Status Validated (UNII)
Record Version