2-[[2-[[2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-valeric acid Formula: C36H49N9O9 MolecularWeight: 751.82916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C36H49N9O9/c1-3-19(2)30(45-33(51)28(17-29(47)48)43-31(49)24(37)16-21-18-41-25-8-5-4-7-23(21)25)34(52)44-27(15-20-10-12-22(46)13-11-20)32(50)42-26(35(53)54)9-6-14-40-36(38)39/h4-5,7-8,10-13,18-19,24,26-28,30,41,46H,3,6,9,14-17,37H2,1-2H3,(H,42,50)(H,43,49)(H,44,52)(H,45,51)(H,47,48)(H,53,54)(H4,38,39,40)