ALTERNATIVE DEFINITION for [PRAME (57-71)]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C74H114N22O21S
Molecular Weight	1679.897
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [PRAME (57-71)]

Structure Search

SMILES

CSCC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=CVCYODTUZQRSPL-OKZSXFKWSA-N

InChI=1S/C74H114N22O21S/c1-38(2)29-51(68(111)89-48(21-14-15-26-75)64(107)86-41(5)73(116)117)94-72(115)59(42(6)98)96-67(110)49(23-24-56(77)99)90-71(114)55(36-97)95-70(113)53(32-45-34-80-37-83-45)92-66(109)47(22-16-27-81-74(78)79)87-57(100)35-82-63(106)54(33-58(101)102)93-69(112)52(31-44-19-12-9-13-20-44)91-61(104)40(4)84-60(103)39(3)85-65(108)50(25-28-118-7)88-62(105)46(76)30-43-17-10-8-11-18-43/h8-13,17-20,34,37-42,46-55,59,97-98H,14-16,21-33,35-36,75-76H2,1-7H3,(H2,77,99)(H,80,83)(H,82,106)(H,84,103)(H,85,108)(H,86,107)(H,87,100)(H,88,105)(H,89,111)(H,90,114)(H,91,104)(H,92,109)(H,93,112)(H,94,115)(H,95,113)(H,96,110)(H,101,102)(H,116,117)(H4,78,79,81)/t39-,40-,41-,42+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C74H114N22O21S
Molecular Weight	1679.897
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:21:34 GMT 2025` Edited by `admin` on `Wed Apr 02 12:21:34 GMT 2025`
Record UNII	9J3MR9U9L5
Record Status	`alternative`
Record Version

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					9J3MR9U9L5

PRAME (57-71)

Related Record Type Details


					9J3MR9U9L5

PRAME (57-71)

Primary Definition