UCSF

ZINC03935130

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 36 No

Popular Name: Romidepsin Romidepsin

Find On: PubMed — Wikipedia — Google

CAS Number: 128517-07-7

Other Names:

(1S,4S,7Z,10S,16E,21R)-7-Ethylidene-4,21-bis(1-methylethyl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo(8.7.6)tricos-16-ene-3,6,9,19,22-pentone

(1S,4S,7Z,10S,16E,21R)-7-Ethylidene-4,21-bis(1-methylethyl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo(8.7.6)tricos-16-ene-3,6,9,19,22-pentone; Antibiotic FR 901228; C24H36N4O6S2; Chromadax; Cyclo((2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-merc

(1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone

(1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone

128517-07-7

128517-07-7; D06637; Istodax (TN); Romidepsin (JAN/USAN/INN)

AC1NS1N3

Antibiotic FR 901228

Antibiotic FR 901228; FK228; FR901228; NSC-630176

C087123

C24H36N4O6S2

CHEBI:61080

CHEBI:69482

CHEMBL343448

Chromadax

Chromadax (TN)

Chromadax; Istodax

CID5352062

Cyclo((2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl), cyclic (3?5)-disulfide"

D06637

DCL000115

DCL000317

DNC001011

FK 228

FK-228

FK-901228

FK228

FR 901228

FR-901228

FR901228

HDInhib_000006

Istodax

L-Valine, N-((3S,4E)-3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-D-valyl-D-cysteinyl-(2Z)-2-amino-2-butenoxyl-, (4-1)-lactone, cyclic (1-2)-disulfide

L-Valine, N-(3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-D-valyl-D-cysteinyl-(Z)-2,3-didehydro-2-aminobutanoyl-, xi-lactone, cyclic (1-2)-disulfide, (S-(E))-

LS-161318

nchembio.313-comp2

NFPS

NSC 630176

NSC-630176

NSC630176

Probes1_000153

Probes2_000337

Romidepsin (USAN)

romidepsin; romidepsina; romidepsine; romidepsinum

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 7.11 -19.26 4 10 0 143 540.708 2 ↓
Hi High (pH 8-9.5) 1.79 8.16 -34.81 3 10 -1 149 539.7 2 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )