Feedback

scytalidamide B

Properties

Image

Occurences in reactions

MNX_ID

MNXM108761

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

formula

C₅₁H₆₉N₇O₇

charge

mass

891.52585

reference

chebi:66457

InChIKey

BZXAVUYDKXXNPV-DKTNFYNISA-N

InChI

InChI=1S/C51H69N7O7/c1-32(2)27-39-48(63)58-26-25-34(5)43(58)49(64)57(9)41(28-33(3)4)46(61)55-51(6,7)50(65)54-40(30-36-21-15-11-16-22-36)47(62)56(8)42(31-37-23-17-12-18-24-37)45(60)52-38(44(59)53-39)29-35-19-13-10-14-20-35/h10-24,32-34,38-43H,25-31H2,1-9H3,(H,52,60)(H,53,59)(H,54,65)(H,55,61)/t34-,38-,39-,40-,41-,42-,43-/m0/s1

SMILES

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2[C@@H](C)CCN2C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:66457 chebi:66457	scytalidamide B (3S,9S,12S,15S,18S,23S,23aS)-9,12,15-tribenzyl-2,6,6,11,23-pentamethyl-3,18-bis(2-methylpropyl)hexadecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19-heptone cyclo[2-methyl-D-alanyl-L-phenylalanyl-N-methyl-L-phenylalanyl-L-phenylalanyl-L-leucyl-(3S)-3-methyl-L-prolyl-N-methyl-L-leucyl]