5-[[4-azanyl-1-[2-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-azanyl-1-[2-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-amino-1-[2-[[2-hydroxy-1-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]pyrrolidine-1-carbonyl]-3-oxo-propyl]amino]-4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[4-amino-1-[2-[[[3-hydroxy-1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1,4-dioxobutan-2-yl]amino]-4-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[4-amino-1-[2-[[3-hydroxy-1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-[[3-amino-1-[2-[[2-hydroxy-1-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]propyl]carbamoyl]pyrrolidine-1-carbonyl]-3-keto-propyl]amino]-5-keto-4-(tyrosylamino)valeric acid Formula: C36H47N7O13 MolecularWeight: 785.79748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N)O

Isomeric SMILES

CC(C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N)O

InChI

InChI=1S/C36H47N7O13/c1-18(44)30(34(53)41-26(36(55)56)16-20-6-10-22(46)11-7-20)42-33(52)27-3-2-14-43(27)35(54)25(17-28(38)47)40-32(51)24(12-13-29(48)49)39-31(50)23(37)15-19-4-8-21(45)9-5-19/h4-11,18,23-27,30,44-46H,2-3,12-17,37H2,1H3,(H2,38,47)(H,39,50)(H,40,51)(H,41,53)(H,42,52)(H,48,49)(H,55,56)