ALTERNATIVE DEFINITION for [PRAME (81-95)]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C77H129N21O19S
Molecular Weight	1685.042
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [PRAME (81-95)]

Structure Search

SMILES

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=UAHRKKUROSFYNL-BICFUCFPSA-N

InChI=1S/C77H129N21O19S/c1-40(2)27-48(79)76(115)98-25-16-18-59(98)74(113)95-53(28-41(3)4)66(105)84-37-62(101)97-64(45(11)12)75(114)96-56(31-44(9)10)69(108)89-51(23-26-118-13)68(107)88-49(17-14-15-24-78)65(104)83-36-61(100)87-50(19-21-60(80)99)67(106)93-57(32-46-34-81-38-85-46)72(111)92-55(30-43(7)8)71(110)94-58(33-47-35-82-39-86-47)73(112)91-54(29-42(5)6)70(109)90-52(77(116)117)20-22-63(102)103/h34-35,38-45,48-59,64H,14-33,36-37,78-79H2,1-13H3,(H2,80,99)(H,81,85)(H,82,86)(H,83,104)(H,84,105)(H,87,100)(H,88,107)(H,89,108)(H,90,109)(H,91,112)(H,92,111)(H,93,106)(H,94,110)(H,95,113)(H,96,114)(H,97,101)(H,102,103)(H,116,117)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C77H129N21O19S
Molecular Weight	1685.042
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:26:18 GMT 2025` Edited by `admin` on `Wed Apr 02 13:26:18 GMT 2025`
Record UNII	K3QS87A9MP
Record Status	`alternative`
Record Version

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					K3QS87A9MP

PRAME (81-95)

Related Record Type Details


					K3QS87A9MP

PRAME (81-95)

Primary Definition