DUOCARMAZINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H75ClN12O17
Molecular Weight	1331.814
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](NC(=O)OCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)NC2=CC=C(COC(=O)N(C)CCN(CCOCCO)C(=O)OC3=CC4=C([C@H](CCl)CN4C(=O)C5=CN6C=C(NC(=O)C7=CC=C(O)C=C7)C=CC6=N5)C8=C(C)C=CC=C38)C=C2

InChI

InChIKey=RFQYSAASDBNNDZ-UCGHAGIGSA-N

InChI=1S/C65H75ClN12O17/c1-39(2)57(73-63(88)93-32-31-92-29-26-77-53(81)20-21-54(77)82)60(85)72-48(9-6-22-68-62(67)87)59(84)69-44-14-10-41(11-15-44)38-94-64(89)74(4)23-24-75(25-28-91-30-27-79)65(90)95-51-33-50-56(55-40(3)7-5-8-47(51)55)43(34-66)35-78(50)61(86)49-37-76-36-45(16-19-52(76)71-49)70-58(83)42-12-17-46(80)18-13-42/h5,7-8,10-21,33,36-37,39,43,48,57,79-80H,6,9,22-32,34-35,38H2,1-4H3,(H,69,84)(H,70,83)(H,72,85)(H,73,88)(H3,67,68,87)/t43-,48+,57+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C65H75ClN12O17
Molecular Weight	1331.814
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:50:26 GMT 2023` Edited by `admin` on `Sat Dec 16 14:50:26 GMT 2023`
Record UNII	DY9HDN3I6S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DUOCARMAZINE

Official Name

English

L-ORNITHINAMIDE, N-((2-(2-(2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)ETHOXY)ETHOXY)CARBONYL)-L-VALYL-N5-(AMINOCARBONYL)-N-(4-(7-((((1S)-1-(CHLOROMETHYL)-2,3-DIHYDRO-3-((6-((4-HYDROXYBENZOYL)AMINO)IMIDAZO(1,2-A)PYRIDIN-2-YL)CARBONYL)-9-METHYL-1H-BENZ(E)INDOL-5

Systematic Name

English

DUOCARMAZINE [USAN]

Common Name

English

SYD980

Code

English

VC-SECO-DUBA

Common Name

English

Code System Code Type Description

PUBCHEM

88899540