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Chemical structure of Ramoplanin Complex

GC48025

Ramoplanin Complex

Also known as (2S)-N-[(3R,6R,9R,15R,18R,21R,24R,27R,30R,33R,36R,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-39-[(1R)-1-hydroxyethyl]-18,30-bis[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-[[(2E,4E)-7-methylocta-2,4-dienoyl]amino]butanediamide

Ramoplanin Complex is a broad-spectrum lipoglycodepsipeptide antibiotic derived from the Actinoplanes spp with with activity against gram-positive bacteria

ChemicalCAS76168-82-6MW2554.1FormulaC119H154ClN21O40 (for A2)
CAS number
76168-82-6
Molecular weight
2554.1
Formula
C119H154ClN21O40 (for A2)
Solubility
DMF： 10mg/mL,DMSO： 10mg/mL,DMSO：PBS (pH 7·2) (1：3)： 0·25mg/mL
InChIKey
KGZHFKDNSAEOJX-TULZXPCASA-N
Catalogue number
GC48025
Brand
GLPBIO
Computed properties PubChem CID 60148452 · XLogP -0.1 · TPSA 1000 Ų · H-bond donors 36
XLogP
-0.1
TPSA
1000 Ų
H-bond donors
36
H-bond acceptors
42
Rotatable bonds
35
Heavy atoms
181

SMILES C[C@@H]1C(=O)N[C@@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](C(=O)N1)CC(C)C)C2=CC=C(C=C2)O)[C@H](C)O)C3=CC=C(C=C3)O[C@@H]4[C@@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O[C@H]5[C@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)CCCN)CC6=CC=CC=C6)[C@H](C)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)[C@@H](C)O)CCCN)C9=CC=C(C=C9)O)NC(=O)[C@H](CC(=O)N)NC(=O)/C=C/C=C/CC(C)C)C(=O)N)C1=CC(=C(C=C1)O)Cl

Computed descriptors from PubChem (CID 60148452), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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