(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate

Compound number:
MolPort-003-940-121
CAS number: 66547-09-9; 66584-72-3
IUPAC:
(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1¹⁰,¹⁴.0³,⁵]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate
IUPAC traditional:
ansamitocin P3
SMILES:
CO[C@@H]1\C=C\C=C(C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2 |c:5,t:3|
InChI key:
OPQNCARIZFLNLF-JBHFWYGFSA-N
Molecular formula:
C32H43ClN2O9
Molecular weight: 635.15
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 7 business days Purity: n/a
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More Information

Compound Identifiers
Compound number: MolPort-003-940-121
CAS number: 66547-09-9; 66584-72-3

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000004102313
Ansamitocin P-3
Antibiotic C 15003P3Maytansinol butyrateC15003P3
Antibiotic C 15003P3Maytansinol isobutyrate

InChI
InChI: 1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1
InChI key: OPQNCARIZFLNLF-JBHFWYGFSA-N

Calculated Properties
Molecular formula: C32H43ClN2O9
Molecular weight: 635.15

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2019 MolPort, v3.16, release date 11-09-2019 16:00 (+0200). All rights reserved.
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