DIDEMNIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H82N6O14
Molecular Weight	1015.2393
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](CC2=CC=C(OC)C=C2)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C

InChI

InChIKey=ZRSXZCRRAOVIJD-KNKJEZLASA-N

InChI=1S/C52H82N6O14/c1-15-30(8)42-40(60)26-41(61)72-45(29(6)7)44(62)31(9)46(63)53-36(23-27(2)3)50(67)58-22-16-17-37(58)51(68)57(13)39(25-34-18-20-35(70-14)21-19-34)52(69)71-33(11)43(48(65)54-42)55-47(64)38(24-28(4)5)56(12)49(66)32(10)59/h18-21,27-33,36-40,42-43,45,59-60H,15-17,22-26H2,1-14H3,(H,53,63)(H,54,65)(H,55,64)/t30-,31-,32-,33+,36-,37-,38+,39-,40-,42+,43-,45-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C52H82N6O14
Molecular Weight	1015.2393
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 `Wed Apr 02 11:28:01 GMT 2025` Edited by `admin` on `Wed Apr 02 11:28:01 GMT 2025`
Record UNII	68SK86968R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIDEMNIN C

Common Name

English

DIDEMNIN A, N-(2-HYDROXY-1-OXOPROPYL)-, (S)-

Preferred Name

English

L-TYROSINE, N-((2S)-2-HYDROXY-1-OXOPROPYL)-N-METHYL-D-LEUCYL-L-THREONYL-(3S,4R,5S)-4-AMINO-3-HYDROXY-5-METHYLHEPTANOYL-(2S,4S)-4-HYDROXY-2,5-DIMETHYL-3-OXOHEXANOYL-L-LEUCYL-L-PROLYL-N,O-DIMETHYL-, (7->2)-LACTONE

Common Name

English

DIDEMNIN C [MI]

Common Name

English

Code System Code Type Description

FDA UNII

68SK86968R

Created by admin on Wed Apr 02 11:28:01 GMT 2025 , Edited by admin on Wed Apr 02 11:28:01 GMT 2025

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MERCK INDEX

m4381

Created by admin on Wed Apr 02 11:28:01 GMT 2025 , Edited by admin on Wed Apr 02 11:28:01 GMT 2025

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Merck Index

CAS

77327-06-1

Created by admin on Wed Apr 02 11:28:01 GMT 2025 , Edited by admin on Wed Apr 02 11:28:01 GMT 2025

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PUBCHEM

9963211

Created by admin on Wed Apr 02 11:28:01 GMT 2025 , Edited by admin on Wed Apr 02 11:28:01 GMT 2025

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