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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H29N5O3.2C2H4O2
Molecular Weight 495.5692
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIPEPTIDE DIAMINOBUTYROYL BENZYLAMIDE DIACETATE

SMILES

CC(O)=O.CC(O)=O.NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCN)C(=O)NCC2=CC=CC=C2

InChI

InChIKey=HSUGRPOJOBRRBK-SXBSVMRRSA-N
InChI=1S/C19H29N5O3.2C2H4O2/c20-10-8-15(18(26)22-13-14-5-2-1-3-6-14)23-19(27)16-7-4-12-24(16)17(25)9-11-21;2*1-2(3)4/h1-3,5-6,15-16H,4,7-13,20-21H2,(H,22,26)(H,23,27);2*1H3,(H,3,4)/t15-,16-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H29N5O3
Molecular Weight 375.4653
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
38H206R00R
Record Status Validated (UNII)
Record Version