3-[[(2R)-2-[[(2S)-2-(azepan-1-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2R)-2-[[(2S)-2-(azepan-1-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]propanoic acid Openeye Name: 3-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methyl-pentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]propanoic acid CAS Name: 3-[[(2R)-2-[[(2S)-2-[[1-azepanyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1-methyl-3-indolyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]propanoic acid Traditional Name: 3-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methyl-pentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]propionic acid Formula: C28H41N5O5 MolecularWeight: 527.65564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CN(C2=CC=CC=C21)C)C(=O)NCCC(=O)O)NC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC1=CN(C2=CC=CC=C21)C)C(=O)NCCC(=O)O)NC(=O)N3CCCCCC3

InChI

InChI=1S/C28H41N5O5/c1-19(2)16-22(31-28(38)33-14-8-4-5-9-15-33)27(37)30-23(26(36)29-13-12-25(34)35)17-20-18-32(3)24-11-7-6-10-21(20)24/h6-7,10-11,18-19,22-23H,4-5,8-9,12-17H2,1-3H3,(H,29,36)(H,30,37)(H,31,38)(H,34,35)/t22-,23+/m0/s1