N-[15-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxo-4,7,10,13-tetraoxapentadec-1-yl]-L-alanyl-L-alanyl-N1-[4-(hydroxymethyl)phenyl]-N4-(triphenylmethyl)-L-aspartamide
CAS Registry Number®
2055042-72-1
CAS Name
N-[15-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxo-4,7,10,13-tetraoxapentadec-1-yl]-L-alanyl-L-alanyl-N1-[4-(hydroxymethyl)phenyl]-N4-(triphenylmethyl)-L-aspartamideMolecular Formula
C58H63N7O16Molecular Mass
1114.16Cite this Page
N-[15-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxo-4,7,10,13-tetraoxapentadec-1-yl]-L-alanyl-L-alanyl-N1-[4-(hydroxymethyl)phenyl]-N4-(triphenylmethyl)-L-aspartamide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2055042-72-1 (retrieved ) (CAS RN: 2055042-72-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C58H63N7O16/c1-40(59-50(66)28-30-76-32-34-78-36-37-79-35-33-77-31-29-64-52(68)26-27-53(64)69)54(70)60-41(2)55(71)62-49(56(72)61-46-20-18-42(19-21-46)39-80-57(73)81-48-24-22-47(23-25-48)65(74)75)38-51(67)63-58(43-12-6-3-7-13-43,44-14-8-4-9-15-44)45-16-10-5-11-17-45/h3-27,40-41,49H,28-39H2,1-2H3,(H,59,66)(H,60,70)(H,61,72)(H,62,71)(H,63,67)/t40-,41-,49-/m0/s1
InChIKey
InChIKey=UVFMMQZDFPUPMU-GUNZWIIFSA-N
SMILES
C(NC(C[C@@H](C(NC1=CC=C(COC(OC2=CC=C(N(=O)=O)C=C2)=O)C=C1)=O)NC([C@@H](NC([C@@H](NC(CCOCCOCCOCCOCCN3C(=O)C=CC3=O)=O)C)=O)C)=O)=O)(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
Canonical SMILES
O=C(OC1=CC=C(C=C1)N(=O)=O)OCC2=CC=C(C=C2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCOCCOCCOCCOCCN3C(=O)C=CC3=O)C)C)CC(=O)NC(C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6
Other Names for this Substance
- L-Aspartamide, N-[15-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxo-4,7,10,13-tetraoxapentadec-1-yl]-L-alanyl-L-alanyl-N1-[4-(hydroxymethyl)phenyl]-N4-(triphenylmethyl)-
- N-[15-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxo-4,7,10,13-tetraoxapentadec-1-yl]-L-alanyl-L-alanyl-N1-[4-(hydroxymethyl)phenyl]-N4-(triphenylmethyl)-L-aspartamide
