2-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-oxidanylidene-1-(pentylamino)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-oxidanylidene-1-(pentylamino)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-[[(1S)-3-methyl-1-(pentylcarbamoyl)butyl]amino]-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[(1S)-2-[[(1S)-1-(amylcarbamoyl)-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-methyl-valeric acid Formula: C28H44N4O4 MolecularWeight: 500.67336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C28H44N4O4/c1-6-7-10-13-29-26(33)23(14-18(2)3)32-27(34)24(31-25(28(35)36)15-19(4)5)16-20-17-30-22-12-9-8-11-21(20)22/h8-9,11-12,17-19,23-25,30-31H,6-7,10,13-16H2,1-5H3,(H,29,33)(H,32,34)(H,35,36)/t23-,24-,25?/m0/s1