3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)-4-[phenylmethoxycarbonyl-(phenylmethyl)amino]butanoic acid ethyl ester

SpectraBase Compound ID	10h6hfklKhH
InChI	InChI=1S/C37H37N3O6/c1-2-44-35(41)34(39-36(42)45-25-28-16-8-4-9-17-28)32(31-22-38-33-21-13-12-20-30(31)33)24-40(23-27-14-6-3-7-15-27)37(43)46-26-29-18-10-5-11-19-29/h3-22,32,34,38H,2,23-26H2,1H3,(H,39,42)
InChIKey	KRNYPKRAVPZTJE-UHFFFAOYSA-N Google Search
Mol Weight	619.7 g/mol
Molecular Formula	C37H37N3O6
Exact Mass	619.268236 g/mol

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SpectraBase Spectrum ID	DGNDNdXCnyz
Name	3-(1H-Indol-3-yl)-2-(phenylmethoxycarbonylamino)-4-[phenylmethoxycarbonyl-(phenylmethyl)amino]butanoic acid ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	619.268235917 u
Formula	C37H37N3O6
InChI	InChI=1S/C37H37N3O6/c1-2-44-35(41)34(39-36(42)45-25-28-16-8-4-9-17-28)32(31-22-38-33-21-13-12-20-30(31)33)24-40(23-27-14-6-3-7-15-27)37(43)46-26-29-18-10-5-11-19-29/h3-22,32,34,38H,2,23-26H2,1H3,(H,39,42)
InChIKey	KRNYPKRAVPZTJE-UHFFFAOYSA-N
Molecular Weight	619.718 g/mol
SMILES	C1(C(C(NC(=O)OCC2=CC=CC=C2)C(=O)OCC)CN(C(OCC=2C=CC=CC2)=O)CC2=CC=CC=C2)=CNC2=C1C=CC=C2