2-[[6-azanyl-2-[2-[[2-[2-[[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]propanoylamino]-3-methyl-butanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]ethanoylamino]hexanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[6-azanyl-2-[2-[[2-[2-[[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]propanoylamino]-3-methyl-butanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]ethanoylamino]hexanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoylamino]-3-methyl-butanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[6-amino-2-[[2-[[3-methyl-2-[[2-[[3-methyl-2-[2-[[2-(tyrosylamino)acetyl]amino]propanoylamino]butanoyl]amino]acetyl]amino]butanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-propionic acid Formula: C37H60N10O12 MolecularWeight: 836.9321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

CC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C37H60N10O12/c1-19(2)30(35(56)41-16-28(51)44-25(8-6-7-13-38)34(55)45-26(18-48)37(58)59)46-29(52)17-42-36(57)31(20(3)4)47-32(53)21(5)43-27(50)15-40-33(54)24(39)14-22-9-11-23(49)12-10-22/h9-12,19-21,24-26,30-31,48-49H,6-8,13-18,38-39H2,1-5H3,(H,40,54)(H,41,56)(H,42,57)(H,43,50)(H,44,51)(H,45,55)(H,46,52)(H,47,53)(H,58,59)