DIDEMNIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H78N6O12
Molecular Weight	943.1766
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@H](O)[C@]([H])(NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)[C@@H](C)OC(=O)[C@H](CC3=CC=C(OC)C=C3)N(C)C2=O)[C@@H](C)CC)C(C)C

InChI

InChIKey=XQZOGOCTPKFYKC-VSZULPIASA-N

InChI=1S/C49H78N6O12/c1-14-29(8)40-38(56)25-39(57)67-43(28(6)7)42(58)30(9)44(59)51-35(23-27(4)5)47(62)55-21-15-16-36(55)48(63)54(12)37(24-32-17-19-33(65-13)20-18-32)49(64)66-31(10)41(46(61)52-40)53-45(60)34(50-11)22-26(2)3/h17-20,26-31,34-38,40-41,43,50,56H,14-16,21-25H2,1-13H3,(H,51,59)(H,52,61)(H,53,60)/t29-,30-,31+,34+,35-,36-,37-,38-,40+,41-,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C49H78N6O12
Molecular Weight	943.1766
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:39:58 GMT 2023` Edited by `admin` on `Sat Dec 16 09:39:58 GMT 2023`
Record UNII	4LSZ9C5HOB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIDEMNIN A

Common Name

English

(3S-(1(2R*,4R*),3R*,4S*,5R*))-N-(1-(N-(4-((3-HYDROXY-5-METHYL-4-((N-(N-METHYL-D-LEUCYL)-L-THREONYL)AMINO)-1-OXOHEPTYL)OXY)-2,5-DIMETHYL-1,3-DIOXOHEXYL)-L-LEUCYL)-L-PROLYL)-N,O-DIMETHYL-L-TYROSINE .PHI.-LACTONE

Common Name

English

DIDEMNINS

Common Name

English

DIDEMNIN A [MI]

Common Name

English

NSC-351910

Code

English

L-TYROSINE, N-(1-(N-(4-((3-HYDROXY-5-METHYL-4-((N-(N-METHYL-D-LEUCYL)-L-THREONYL)AMINO)-1-OXOHEPTYL)OXY)-2,5-DIMETHYL-1,3-DIOXOHEXYL)-L-LEUCYL)-L-PROLYL)-N,O-DIMETHYL-, .PHI.-LACTONE, (3S-(1(2R*,4R*),3R*,4S*,5R*))-

Common Name

English

Code System Code Type Description

FDA UNII

4LSZ9C5HOB