5-azanyl-2-[[6-azanyl-2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[6-azanyl-2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[6-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[6-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[6-amino-2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[6-amino-2-[[3-(1H-indol-3-yl)-2-[[3-methyl-2-(tyrosylamino)butanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-keto-valeric acid Formula: C36H50N8O8 MolecularWeight: 722.831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C36H50N8O8/c1-20(2)31(44-32(47)25(38)17-21-10-12-23(45)13-11-21)35(50)43-29(18-22-19-40-26-8-4-3-7-24(22)26)34(49)41-27(9-5-6-16-37)33(48)42-28(36(51)52)14-15-30(39)46/h3-4,7-8,10-13,19-20,25,27-29,31,40,45H,5-6,9,14-18,37-38H2,1-2H3,(H2,39,46)(H,41,49)(H,42,48)(H,43,50)(H,44,47)(H,51,52)