methyl (2R)-2-[[(2R)-2-[[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[(2R)-2-[[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(2R)-2-[[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2R)-2-[[(2S)-2-[[[(2R,6S)-2,6-dimethyl-1-piperidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(2-methyl-1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-2-[[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(2R)-2-[[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C32H49N5O5S MolecularWeight: 615.82696

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)NC(CC(C)C)C(=O)NC(CC2=C(NC3=CC=CC=C32)C)C(=O)NC(CCSC)C(=O)OC)C

Isomeric SMILES

C[C@@H]1CCC[C@@H](N1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC2=C(NC3=CC=CC=C32)C)C(=O)N[C@H](CCSC)C(=O)OC)C

InChI

InChI=1S/C32H49N5O5S/c1-19(2)17-27(36-32(41)37-20(3)11-10-12-21(37)4)29(38)35-28(30(39)34-26(15-16-43-7)31(40)42-6)18-24-22(5)33-25-14-9-8-13-23(24)25/h8-9,13-14,19-21,26-28,33H,10-12,15-18H2,1-7H3,(H,34,39)(H,35,38)(H,36,41)/t20-,21+,26-,27+,28-/m1/s1