(2S)-2-[[(2S)-2-[[(2R)-2-azanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-N-phenethyl-pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2R)-2-azanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-N-phenethyl-pentanamide Openeye Name: (2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-N-phenethyl-pentanamide CAS Name: (2S)-2-[[(2S)-2-[[(2R)-2-amino-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-N-phenethylpentanamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-N-phenethylpentanamide Traditional Name: (2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-N-phenethyl-valeramide Formula: C28H37N5O3 MolecularWeight: 491.62508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(C)N

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)NCCC3=CC=CC=C3)N

InChI

InChI=1S/C28H37N5O3/c1-18(2)15-24(27(35)30-14-13-20-9-5-4-6-10-20)33-28(36)25(32-26(34)19(3)29)16-21-17-31-23-12-8-7-11-22(21)23/h4-12,17-19,24-25,31H,13-16,29H2,1-3H3,(H,30,35)(H,32,34)(H,33,36)/t19-,24+,25+/m1/s1