NENDRATAREOTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H63N11O10S3
Molecular Weight	1050.277
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CS)C(N)=O)NC(=O)[C@H](N)CC5=CC=CC=C5)[C@@H](C)O

InChI

InChIKey=QZHOOLOXUURHNN-AQLQTPEZSA-N

InChI=1S/C48H63N11O10S3/c1-26(60)40-48(69)58-39(47(68)56-37(23-70)41(51)62)25-72-71-24-38(57-42(63)32(50)19-27-9-3-2-4-10-27)46(67)54-35(20-28-14-16-30(61)17-15-28)44(65)55-36(21-29-22-52-33-12-6-5-11-31(29)33)45(66)53-34(43(64)59-40)13-7-8-18-49/h2-6,9-12,14-17,22,26,32,34-40,52,60-61,70H,7-8,13,18-21,23-25,49-50H2,1H3,(H2,51,62)(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t26-,32-,34+,35+,36-,37+,38+,39+,40+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C48H63N11O10S3
Molecular Weight	1050.277
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:57:34 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:34 GMT 2023`
Record UNII	N3MT2V368J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NENDRATAREOTIDE

Official Name

English

L-CYSTEINAMIDE, D-PHENYLALANYL-L-CYSTEINYL-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-L-CYSTEINYL-, CYCLIC (2->7)-DISULFIDE

Systematic Name

English

nendratareotide [INN]

Common Name

English

Code System Code Type Description

CAS

2251119-65-8