ethyl (4S)-4-[[(2S)-2-azanyl-3-methyl-pentanoyl]amino]-5-(1H-indol-3-yl)-3-oxidanyl-pentanoate

Systemtic Name: ethyl (4S)-4-[[(2S)-2-azanyl-3-methyl-pentanoyl]amino]-5-(1H-indol-3-yl)-3-oxidanyl-pentanoate Openeye Name: ethyl (4S)-4-[[(2S)-2-amino-3-methyl-pentanoyl]amino]-3-hydroxy-5-(1H-indol-3-yl)pentanoate CAS Name: (4S)-4-[[(2S)-2-amino-3-methyl-1-oxopentyl]amino]-3-hydroxy-5-(1H-indol-3-yl)pentanoic acid ethyl ester IUPAC Name: ethyl (4S)-4-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-hydroxy-5-(1H-indol-3-yl)pentanoate Traditional Name: (4S)-4-[[(2S)-2-amino-3-methyl-pentanoyl]amino]-3-hydroxy-5-(1H-indol-3-yl)valeric acid ethyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(CC(=O)OCC)O)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(CC(=O)OCC)O)N

InChI

InChI=1S/C21H31N3O4/c1-4-13(3)20(22)21(27)24-17(18(25)11-19(26)28-5-2)10-14-12-23-16-9-7-6-8-15(14)16/h6-9,12-13,17-18,20,23,25H,4-5,10-11,22H2,1-3H3,(H,24,27)/t13?,17-,18?,20-/m0/s1