Demobesin 4

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C83H130N28O19
Molecular Weight	1824.0965
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]5CCCN5C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O

InChI

InChIKey=NSMLTEZNYVWGQA-LVMHIBDPSA-N

InChI=1S/C83H130N28O19/c1-7-8-14-54(70(89)118)103-77(125)58(32-44(2)3)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(4)5)110-71(119)46(6)100-76(124)60(34-48-39-96-53-15-10-9-13-52(48)53)109-75(123)56(22-24-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-18-20-51(112)21-19-47)108-73(121)55(16-11-28-95-83(90)91)104-74(122)57(23-25-65(87)114)106-80(128)63-17-12-31-111(63)82(130)49(37-92-29-26-84)38-93-30-27-85/h9-10,13,15,18-21,39-40,43-46,49,54-63,69,92-93,96,112H,7-8,11-12,14,16-17,22-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,69-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C83H130N28O19
Molecular Weight	1824.0965
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:06:53 GMT 2023` Edited by `admin` on `Sat Dec 16 20:06:53 GMT 2023`
Record UNII	29QGX8L82H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Demobesin 4

Common Name

English

Demobesin-4

Common Name

English

L-Norleucinamide, N-(2-aminoethyl)-2-[[(2-aminoethyl)amino]methyl]-β-alanyl-L-prolyl-L-glutaminyl-L-arginyl-L-tyrosylglycyl-L-asparaginyl-L-glutaminyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-leucyl-

Systematic Name

English

N-(2-Aminoethyl)-2-[[(2-aminoethyl)amino]methyl]-β-alanyl-L-prolyl-L-glutaminyl-L-arginyl-L-tyrosylglycyl-L-asparaginyl-L-glutaminyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-leucyl-L-norleucinamide

Systematic Name

English

Code System Code Type Description

PUBCHEM

16156959

Created by admin on Sat Dec 16 20:06:53 GMT 2023 , Edited by admin on Sat Dec 16 20:06:53 GMT 2023

PRIMARY

CAS

832724-24-0

Created by admin on Sat Dec 16 20:06:53 GMT 2023 , Edited by admin on Sat Dec 16 20:06:53 GMT 2023

PRIMARY

FDA UNII

29QGX8L82H

Created by admin on Sat Dec 16 20:06:53 GMT 2023 , Edited by admin on Sat Dec 16 20:06:53 GMT 2023

PRIMARY