EC-0652

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H65N9O17S
Molecular Weight	1060.134
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

N[C@@H](CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CCCCCCCNC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(O)=O

InChI

InChIKey=VHRCAJFLDBPRPG-POFDKVPJSA-N

InChI=1S/C47H65N9O17S/c48-29(40(63)52-34(24-39(61)62)43(66)54-35(26-74)46(71)72)25-50-41(64)32(22-27-12-6-4-7-13-27)53-42(65)33(23-28-14-8-5-9-15-28)51-37(58)16-10-2-1-3-11-21-49-36(57)19-17-30(44(67)68)55-47(73)56-31(45(69)70)18-20-38(59)60/h4-9,12-15,29-35,74H,1-3,10-11,16-26,48H2,(H,49,57)(H,50,64)(H,51,58)(H,52,63)(H,53,65)(H,54,66)(H,59,60)(H,61,62)(H,67,68)(H,69,70)(H,71,72)(H2,55,56,73)/t29-,30-,31-,32-,33-,34-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H65N9O17S
Molecular Weight	1060.134
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:10:47 GMT 2023` Edited by `admin` on `Sat Dec 16 02:10:47 GMT 2023`
Record UNII	RWY5U5KZV3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EC-0652

Code

English

L-CYSTEINE, N-((((1S)-1,3-DICARBOXYPROPYL)AMINO)CARBONYL)-L-.GAMMA.-GLUTAMYL-8-AMINOOCTANOYL-L-PHENYLALANYL-L-PHENYLALANYL-(2S)-2-AMINO-.BETA.-ALANYL-L-.ALPHA.-ASPARTYL-

Systematic Name

English

EC0652

Code

English

EC 0652

Code

English

PC01SK28

Code

English

Code System Code Type Description

CAS

1025066-50-5