DOTA-NOC

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C69H94N14O17S2
Molecular Weight	1455.698
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)C(=O)N[C@@H](CC4=CC=CC5=C4C=CC=C5)C(=O)N[C@H](CC6=CNC7=C6C=CC=C7)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1

InChI

InChIKey=PZCJTYVWTGPGOH-OKVMNLLFSA-N

InChI=1S/C69H94N14O17S2/c1-42(85)55(39-84)76-68(99)57-41-102-101-40-56(77-64(95)52(31-44-13-4-3-5-14-44)72-58(87)35-80-23-25-81(36-59(88)89)27-29-83(38-61(92)93)30-28-82(26-24-80)37-60(90)91)67(98)75-53(32-46-17-12-16-45-15-6-7-18-48(45)46)66(97)74-54(33-47-34-71-50-20-9-8-19-49(47)50)65(96)73-51(21-10-11-22-70)63(94)79-62(43(2)86)69(100)78-57/h3-9,12-20,34,42-43,51-57,62,71,84-86H,10-11,21-33,35-41,70H2,1-2H3,(H,72,87)(H,73,96)(H,74,97)(H,75,98)(H,76,99)(H,77,95)(H,78,100)(H,79,94)(H,88,89)(H,90,91)(H,92,93)/t42-,43-,51+,52-,53+,54-,55-,56+,57+,62+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C69H94N14O17S2
Molecular Weight	1455.698
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:57:10 GMT 2023` Edited by `admin` on `Sat Dec 16 13:57:10 GMT 2023`
Record UNII	1IIY9GZY9U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOTA-NOC

Common Name

English

L-CYSTEINAMIDE, N-(2-(4,7,10-TRIS(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL)ACETYL)-D-PHENYLALANYL-L-CYSTEINYL-3-(1-NAPHTHALENYL)-L-ALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-, CYCLIC (2->7)-DISULFIDE

Systematic Name

English

DOTANOC

Common Name

English

DOTA-NAL3-OCTREOTIDE

Common Name

English

Code System Code Type Description

FDA UNII

1IIY9GZY9U

Created by admin on Sat Dec 16 13:57:10 GMT 2023 , Edited by admin on Sat Dec 16 13:57:10 GMT 2023

PRIMARY

SMS_ID

300000041342

Created by admin on Sat Dec 16 13:57:10 GMT 2023 , Edited by admin on Sat Dec 16 13:57:10 GMT 2023

PRIMARY

CAS

619300-53-7

Created by admin on Sat Dec 16 13:57:10 GMT 2023 , Edited by admin on Sat Dec 16 13:57:10 GMT 2023

PRIMARY

PUBCHEM

15518147

Created by admin on Sat Dec 16 13:57:10 GMT 2023 , Edited by admin on Sat Dec 16 13:57:10 GMT 2023

PRIMARY

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