ALTERNATIVE DEFINITION for [ADP-355 AMIDE ACETATE]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H80N12O14.C2H4O2
Molecular Weight	1169.3263
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [ADP-355 AMIDE ACETATE]

Structure Search

SMILES

CC(O)=O.CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](N)CC(N)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C)C(=O)N[C@H](CO)C(N)=O

InChI

InChIKey=AEWNGTIQHHZLEI-NQFILYFSSA-N

InChI=1S/C53H80N12O14.C2H4O2/c1-7-13-35(58-52(78)41-16-12-21-65(41)53(79)43(29(5)8-2)64-46(72)34(54)25-42(55)69)47(73)59-36(22-28(3)4)49(75)60-38(24-32-17-19-33(68)20-18-32)50(76)63-40(27-67)51(77)61-37(23-31-14-10-9-11-15-31)48(74)57-30(6)45(71)62-39(26-66)44(56)70;1-2(3)4/h9-11,14-15,17-20,28-30,34-41,43,66-68H,7-8,12-13,16,21-27,54H2,1-6H3,(H2,55,69)(H2,56,70)(H,57,74)(H,58,78)(H,59,73)(H,60,75)(H,61,77)(H,62,71)(H,63,76)(H,64,72);1H3,(H,3,4)/t29-,30-,34+,35-,36-,37-,38-,39+,40+,41-,43-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C53H80N12O14
Molecular Weight	1109.2743
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:17:39 GMT 2025` Edited by `admin` on `Wed Apr 02 06:17:39 GMT 2025`
Record UNII	O53FEN9KKP
Record Status	`alternative`
Record Version

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					O53FEN9KKP

ADP-355 AMIDE ACETATE

Related Record Type Details


					O53FEN9KKP

ADP-355 AMIDE ACETATE

Primary Definition