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A 77003

Properties

Image

Occurences in reactions

MNX_ID

MNXM39837

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₄H₅₈N₈O₆

charge

mass

794.44793

reference

keggC:C15660

InChIKey

QPVWMQXBTCSLCB-BYAJYZPISA-N

InChI

InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40+/m0/s1

SMILES

CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd11303 seedM:cpd11303 kegg.compound:C15660 keggC:C15660	A 77003
CHEBI:40492 chebi:40492	N-{(1S,2S,3R,4S)-1-Benzyl-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
chebi:40386 chebi:40487 chebi:40497 keggC:M_C15660 seedM:M_cpd11303	secondary/obsolete/fantasy identifier