3-[[6-azanyl-2-[[5-[bis(azanyl)methylideneamino]-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]pentanoyl]amino]hexanoyl]amino]-4-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[6-azanyl-2-[[5-[bis(azanyl)methylideneamino]-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]pentanoyl]amino]hexanoyl]amino]-4-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[6-amino-2-[[5-guanidino-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]hexanoyl]amino]-4-[[1-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[6-amino-2-[[5-(diaminomethylideneamino)-1-oxo-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]pentyl]amino]-1-oxohexyl]amino]-4-[[1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[6-amino-2-[[5-(diaminomethylideneamino)-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]hexanoyl]amino]-4-[[1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[[6-amino-2-[[5-guanidino-2-(pyroglutamoylamino)pentanoyl]amino]hexanoyl]amino]-4-[[1-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C35H54N10O11 MolecularWeight: 790.86366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C2CCC(=O)N2

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C2CCC(=O)N2

InChI

InChI=1S/C35H54N10O11/c1-18(2)28(33(54)44-25(34(55)56)16-19-8-10-20(46)11-9-19)45-32(53)24(17-27(48)49)43-30(51)21(6-3-4-14-36)41-29(50)22(7-5-15-39-35(37)38)42-31(52)23-12-13-26(47)40-23/h8-11,18,21-25,28,46H,3-7,12-17,36H2,1-2H3,(H,40,47)(H,41,50)(H,42,52)(H,43,51)(H,44,54)(H,45,53)(H,48,49)(H,55,56)(H4,37,38,39)