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CAS RN 121584-18-7

H3C(R)H3CO(S)NCH3O(S)CH3H3CNCH3O(S)H3CH3CNCH3O(S)CH3H3CNCH3O(R)CH3HNO(S)CH3HNO(S)CH3H3CNH3CO(S)HNO(S)CH3CH3NH3CONCH3O(S)NHOH3CCH3CH3CH3(E)

CAS RN 121584-18-7

IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(2R,4E)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tris(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
Synonyms: valspodar
Molecular Weight (g/mol): 1214.65
Molecular Formula: C63H111N11O12
InChi Key: YJDYDFNKCBANTM-QCWCSKBGSA-N
SMILES: C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C

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PSC 833, Tocris Bioscience™
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CAS: 121584-18-7 Molecular Formula: C63H111N11O12 Molecular Weight (g/mol): 1214.65 MDL Number: MFCD00907207 InChI Key: YJDYDFNKCBANTM-QCWCSKBGSA-N Synonym: valspodar,amdray,sdz psc 833,sdz-psc-833,3'-keto-bmt 1-val 2-cyclosporin a,unii-q7zp55kf3x,amdray tn,valspodar usan/inn,q7zp55kf3x,sdz-psc 833 PubChem CID: 5281884 ChEBI: CHEBI:8985 IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(2R,4E)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tris(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone SMILES: C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C

PubChem CID 5281884
CAS 121584-18-7
Molecular Weight (g/mol) 1214.65
ChEBI CHEBI:8985
MDL Number MFCD00907207
SMILES C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C
Synonym valspodar,amdray,sdz psc 833,sdz-psc-833,3'-keto-bmt 1-val 2-cyclosporin a,unii-q7zp55kf3x,amdray tn,valspodar usan/inn,q7zp55kf3x,sdz-psc 833
IUPAC Name (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(2R,4E)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tris(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
InChI Key YJDYDFNKCBANTM-QCWCSKBGSA-N
Molecular Formula C63H111N11O12