2-[[2-[[6-azanyl-2-[2-[[1-[6-azanyl-2-[[4-methyl-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-[[6-azanyl-2-[2-[[1-[6-azanyl-2-[[4-methyl-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[6-amino-2-[2-[[1-[6-amino-2-[[4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]propanoic acid CAS Name: 2-[[2-[[6-amino-2-[[2-[[[1-[6-amino-2-[[4-methyl-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]pentyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[[2-[[6-amino-2-[2-[[1-[6-amino-2-[[4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid Traditional Name: 2-[[2-[[6-amino-2-[2-[[1-[6-amino-2-[[4-methyl-2-(prolylamino)pentanoyl]amino]hexanoyl]prolyl]amino]propanoylamino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]propionic acid Formula: C37H66N10O10 MolecularWeight: 810.98094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C)C(=O)O)NC(=O)C2CCCN2

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C)C(=O)O)NC(=O)C2CCCN2

InChI

InChI=1S/C37H66N10O10/c1-21(2)19-27(45-31(50)24-13-9-17-40-24)33(52)44-26(12-6-8-16-39)36(55)47-18-10-14-29(47)35(54)41-22(3)30(49)43-25(11-5-7-15-38)32(51)46-28(20-48)34(53)42-23(4)37(56)57/h21-29,40,48H,5-20,38-39H2,1-4H3,(H,41,54)(H,42,53)(H,43,49)(H,44,52)(H,45,50)(H,46,51)(H,56,57)