L-Cysteine, S-[[3,5-bis[[[3-[[(1R)-2-[[[3,5-bis[[(2-carboxyethyl)thio]methyl]phenyl]methyl]thio]-1-carboxyethyl]amino]-3-oxopropyl]thio]methyl]phenyl]methyl]-N-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)acetyl]-L-cysteinyl-S-[[3,5-bis[[(2-carboxyethyl)thio]methyl]phenyl]methyl]-

CAS Registry Number®

622368-00-7

CAS Name

L-Cysteine, S-[[3,5-bis[[[3-[[(1R)-2-[[[3,5-bis[[(2-carboxyethyl)thio]methyl]phenyl]methyl]thio]-1-carboxyethyl]amino]-3-oxopropyl]thio]methyl]phenyl]methyl]-N-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)acetyl]-L-cysteinyl-S-[[3,5-bis[[(2-carboxyethyl)thio]methyl]phenyl]methyl]-

Molecular Formula

C78H97N5O24S12

Molecular Mass

1873.40

Cite this Page

L-Cysteine, S-[[3,5-bis[[[3-[[(1R)-2-[[[3,5-bis[[(2-carboxyethyl)thio]methyl]phenyl]methyl]thio]-1-carboxyethyl]amino]-3-oxopropyl]thio]methyl]phenyl]methyl]-N-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)acetyl]-L-cysteinyl-S-[[3,5-bis[[(2-carboxyethyl)thio]methyl]phenyl]methyl]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=622368-00-7 (retrieved 2024-11-21) (CAS RN: 622368-00-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C78H97N5O24S12/c84-64(80-61(76(102)103)45-117-41-57-25-50(34-110-13-5-69(89)90)20-51(26-57)35-111-14-6-70(91)92)3-11-108-32-48-19-49(33-109-12-4-65(85)81-62(77(104)105)46-118-42-58-27-52(36-112-15-7-71(93)94)21-53(28-58)37-113-16-8-72(95)96)24-56(23-48)40-116-44-60(79-66(86)31-83-67(87)1-2-68(83)88)75(101)82-63(78(106)107)47-119-43-59-29-54(38-114-17-9-73(97)98)22-55(30-59)39-115-18-10-74(99)100/h1-2,19-30,60-63H,3-18,31-47H2,(H,79,86)(H,80,84)(H,81,85)(H,82,101)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,102,103)(H,104,105)(H,106,107)/t60-,61-,62-,63-/m0/s1

InChIKey

InChIKey=NDTTWFGLDKLJDU-RLANMGNTSA-N

SMILES

C(SC[C@@H](C(N[C@@H](CSCC1=CC(CSCCC(O)=O)=CC(CSCCC(O)=O)=C1)C(O)=O)=O)NC(CN2C(=O)C=CC2=O)=O)C3=CC(CSCCC(N[C@@H](CSCC4=CC(CSCCC(O)=O)=CC(CSCCC(O)=O)=C4)C(O)=O)=O)=CC(CSCCC(N[C@@H](CSCC5=CC(CSCCC(O)=O)=CC(CSCCC(O)=O)=C5)C(O)=O)=O)=C3

Canonical SMILES

O=C(O)CCSCC=1C=C(C=C(C1)CSCC(NC(=O)CCSCC=2C=C(C=C(C2)CSCC(NC(=O)CN3C(=O)C=CC3=O)C(=O)NC(C(=O)O)CSCC=4C=C(C=C(C4)CSCCC(=O)O)CSCCC(=O)O)CSCCC(=O)NC(C(=O)O)CSCC=5C=C(C=C(C5)CSCCC(=O)O)CSCCC(=O)O)C(=O)O)CSCCC(=O)O

Other Names for this Substance

  • L-Cysteine, S-[[3,5-bis[[[3-[[(1R)-2-[[[3,5-bis[[(2-carboxyethyl)thio]methyl]phenyl]methyl]thio]-1-carboxyethyl]amino]-3-oxopropyl]thio]methyl]phenyl]methyl]-N-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)acetyl]-L-cysteinyl-S-[[3,5-bis[[(2-carboxyethyl)thio]methyl]phenyl]methyl]-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration