Identidad

Cetrorelix Impurity 9

No indicado · C56H67ClN10O12

01Identidad

Lazychem ID	LC-36510
CAS RN	No indicado
PubChem CID	101008228
Molecular formula	C56H67ClN10O12
Molecular weight	1107.6 g/mol
IUPAC name	(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-4-methylpentanoic acid
InChIKey	ITKLCFAEJHGQKI-QODPRMHRSA-N

02Estructura y estereoquímica

Two-dimensional chemical structure of Cetrorelix Impurity 9 — 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 7 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC2=CN=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)C
InChI	No indicado

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 128Before 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.