ethyl 2-[(2S)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-propyl]sulfanylethanoate

Systemtic Name: ethyl 2-[(2S)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-propyl]sulfanylethanoate Openeye Name: ethyl 2-[(2S)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-propyl]sulfanylacetate CAS Name: 2-[[(2S)-2-[[(2R)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]-3-phenylpropyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-3-phenylpropyl]sulfanylacetate Traditional Name: 2-[[(2S)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-3-phenyl-propyl]thio]acetic acid ethyl ester Formula: C36H45N3O5S MolecularWeight: 631.8246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(CC1=CC=CC=C1)NC(=O)C(C)(CC2=CNC3=CC=CC=C32)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CCOC(=O)CSC[C@H](CC1=CC=CC=C1)NC(=O)[C@@](C)(CC2=CNC3=CC=CC=C32)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C36H45N3O5S/c1-3-43-32(40)22-45-21-29(18-23-9-5-4-6-10-23)38-34(41)36(2,19-28-20-37-31-12-8-7-11-30(28)31)39-35(42)44-33-26-14-24-13-25(16-26)17-27(33)15-24/h4-12,20,24-27,29,33,37H,3,13-19,21-22H2,1-2H3,(H,38,41)(H,39,42)/t24?,25?,26?,27?,29-,33?,36+/m0/s1