3-[[4-azanyl-2-[[3-(1H-indol-3-yl)-2-pentadecanimidoyloxy-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[4-azanyl-2-[[3-(1H-indol-3-yl)-2-pentadecanimidoyloxy-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[4-amino-2-[[3-(1H-indol-3-yl)-2-pentadecanimidoyloxy-propanoyl]amino]-4-oxo-butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 3-[[4-amino-2-[[2-(1-iminopentadecoxy)-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-4-oxopentanoic acid IUPAC Name: 3-[[4-amino-2-[[3-(1H-indol-3-yl)-2-pentadecanimidoyloxypropanoyl]amino]-4-oxobutanoyl]amino]-4-oxopentanoic acid Traditional Name: 3-[[4-amino-2-[[3-(1H-indol-3-yl)-2-pentadecanimidoyloxy-propanoyl]amino]-4-keto-butanoyl]amino]-4-keto-valeric acid Formula: C35H53N5O7 MolecularWeight: 655.82462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=N)OC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC(=N)OC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)C

InChI

InChI=1S/C35H53N5O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-32(37)47-30(20-25-23-38-27-18-16-15-17-26(25)27)35(46)40-29(21-31(36)42)34(45)39-28(24(2)41)22-33(43)44/h15-18,23,28-30,37-38H,3-14,19-22H2,1-2H3,(H2,36,42)(H,39,45)(H,40,46)(H,43,44)