Tunnistetiedot

Anhydro Daptomycin

CAS 121869-35-0 · C72H99N17O25

01Tunnistetiedot

Lazychem IDLC-06388
CAS RN121869-35-0
PubChem CID177834103
Molecular formulaC72H99N17O25
Molecular weight1602.68 g/mol
IUPAC name(3S)-3-((R)-4-amino-2-((S)-2-decanamido-3-(1H-indol-3-yl) propanamido) -4-oxobutanamido)-4-(((5R,8S,11S,14R,15S,21S,24S,27R,30S)-11-(2-(2-aminophenyl)-2-oxoethyl)-21-(3-aminopropyl)-24-(carboxymethyl)-8-((R)-1-carboxypropan-2-yl)-5-(hydroxymethyl)-14,27-dimethyl-3,6,9,12,16,19,22,25,28,32,33-undecaoxo-13-oxa-1,4,7,10,17,20,23,26,29-nonaazabicyclo[28.2.1]tritriacontan-15-yl)amino)-4-oxobutanoic acid
InChIKeyORZVJBWXRAJYHN-QCMAZARJSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 177834103
Two-dimensional chemical structure of Anhydro Daptomycin, CAS 121869-35-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 13 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres13
Ring count5
Secondary amines0
Tertiary amines0
SMILESCCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CN4C(=O)C[C@@H](C4=O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CO)[C@H](C)CC(=O)O)CC(=O)C5=CC=CC=C5N)C
InChIEi ilmoitettu

03Stereochemistry

The published structure contains 13 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres13Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8,192Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Tila Intiassa

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nimet ja suhteet

API ja emolääke

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Epäpuhtaudet ja lähiyhdisteet

Nimet ja suhteet

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06Lähteet