N-(4-Amino-1-oxobutyl)-5-hydroxy-L-tryptophyl-4-chloro-L-phenylalanyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-pyridinyl)-L-alaninamide

CAS Registry Number®

2034159-30-1
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CAS Name

N-(4-Amino-1-oxobutyl)-5-hydroxy-L-tryptophyl-4-chloro-L-phenylalanyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-pyridinyl)-L-alaninamide

Molecular Formula

C43H47ClN8O6

Molecular Mass

807.34

Cite this Page

N-(4-Amino-1-oxobutyl)-5-hydroxy-L-tryptophyl-4-chloro-L-phenylalanyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-pyridinyl)-L-alaninamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2034159-30-1 (retrieved 2024-08-05) (CAS RN: 2034159-30-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H47ClN8O6/c1-58-32-9-11-36-34(23-32)28(24-48-36)14-18-47-41(55)37(20-27-12-16-46-17-13-27)51-42(56)38(19-26-4-6-30(44)7-5-26)52-43(57)39(50-40(54)3-2-15-45)21-29-25-49-35-10-8-31(53)22-33(29)35/h4-13,16-17,22-25,37-39,48-49,53H,2-3,14-15,18-21,45H2,1H3,(H,47,55)(H,50,54)(H,51,56)(H,52,57)/t37-,38-,39-/m0/s1

InChIKey

InChIKey=SRCCZHZOKZJHOK-IGMOWHQGSA-N

SMILES

C([C@@H](C(N[C@@H](CC1=CC=C(Cl)C=C1)C(N[C@@H](CC=2C=CN=CC2)C(NCCC=3C=4C(NC3)=CC=C(OC)C4)=O)=O)=O)NC(CCCN)=O)C=5C=6C(NC5)=CC=C(O)C6

Canonical SMILES

O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCCC1=CNC=2C=CC(OC)=CC21)CC=3C=CN=CC3)CC4=CC=C(Cl)C=C4)CC5=CNC=6C=CC(O)=CC65)CCCN

Other Names for this Substance

  • L-Alaninamide, N-(4-amino-1-oxobutyl)-5-hydroxy-L-tryptophyl-4-chloro-L-phenylalanyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-pyridinyl)-
  • N-(4-Amino-1-oxobutyl)-5-hydroxy-L-tryptophyl-4-chloro-L-phenylalanyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-pyridinyl)-L-alaninamide