(1'S,2'S,2""""S,9S,12R)-12-[2""""-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxa-8,11-dioxo[14]metacyclophane
-
(1'S,2'S,2""""S,9S,12R)-12-[2""""-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxa-8,11-dioxo[14]metacyclophane
structure -
-
CAS No:
180968-23-4
-
Formula:
C40H53N5O8
-
Chemical Name:
(1'S,2'S,2""""S,9S,12R)-12-[2""""-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxa-8,11-dioxo[14]metacyclophane
-
Synonyms:
180968-23-4;Carbamic acid, (1-(((2-hydroxy-2-(10-(1-methylethyl)-9,12-dioxo-2,5-dioxa-8,11,14-triazabicyclo(1431)eicosa-1(20),16,18-trien-13-yl)-1-(phenylmethyl)ethyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (10S-(10R*,13S*(1R*(R*),2S*)))-;1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv.;CHEMBL321422;DTXSID80171045;(1'S,2'S,2""""S,9S,12R)-12-[2""""-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxa-8,11-dioxo[14]metacyclophane;1'S,2'S,2''''S,9S,12R)-12-(2''''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxa-8,11-dioxo(14)metacyclophane;benzyl N-[(1S)-1-[[(1S,2R)-1-benzyl-2-hydroxy-2-[(4R,7S)-7-isopropyl-5,8-dioxo-12,15-dioxa-3,6,9-triazabicyclo[14.3.1]icosa-1(20),16,18-trien-4-yl]ethyl]carbamoyl]-2-methyl-propyl]carbamate
-
CAS No:
(1'S,2'S,2""""S,9S,12R)-12-[2""""-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxa-8,11-dioxo[14]metacyclophane Basic Attributes
731.9 g/mol
731.38941367 g/mol
DTXSID80171045
Computed Properties
Molecular Weight:731.9
XLogP3:4.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:731.38941367
Monoisotopic Mass:731.38941367
Topological Polar Surface Area:176
Heavy Atom Count:53
Complexity:1130
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation