2-[[6-azanyl-2-[[2-[[6-azanyl-2-[2-[[1-[6-azanyl-2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[2-[[6-azanyl-2-[2-[[1-[6-azanyl-2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[1-[6-amino-2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[[1-[6-amino-2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[1-[6-amino-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[1-[6-amino-2-[[4-methyl-2-(phenylalanylamino)pentanoyl]amino]hexanoyl]prolyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butyric acid Formula: C50H86N12O10 MolecularWeight: 1015.29224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C50H86N12O10/c1-30(2)27-38(59-43(64)34(54)28-33-17-8-7-9-18-33)46(67)58-37(21-12-15-25-53)49(70)62-26-16-22-39(62)47(68)55-29-40(63)56-35(19-10-13-23-51)44(65)60-41(31(3)4)48(69)57-36(20-11-14-24-52)45(66)61-42(32(5)6)50(71)72/h7-9,17-18,30-32,34-39,41-42H,10-16,19-29,51-54H2,1-6H3,(H,55,68)(H,56,63)(H,57,69)(H,58,67)(H,59,64)(H,60,65)(H,61,66)(H,71,72)