2-[[6-azanyl-2-[[6-azanyl-2-[[2-[[2-[[6-azanyl-2-[[6-azanyl-2-[[2-[[6-azanyl-2-[(2-azanyl-3-methyl-pentanoyl)amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[6-azanyl-2-[[2-[[2-[[6-azanyl-2-[[6-azanyl-2-[[2-[[6-azanyl-2-[(2-azanyl-3-methyl-pentanoyl)amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-3-methyl-pentanoyl)amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-3-methyl-1-oxopentyl)amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-3-methyl-pentanoyl)amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxy-butyric acid Formula: C59H107N15O13 MolecularWeight: 1234.57358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)N

InChI

InChI=1S/C59H107N15O13/c1-7-36(4)47(65)57(84)69-44(27-15-20-32-64)53(80)73-48(37(5)75)58(85)70-42(25-13-18-30-62)51(78)66-41(24-12-17-29-61)52(79)72-46(34-39-21-9-8-10-22-39)56(83)71-45(33-35(2)3)55(82)68-40(23-11-16-28-60)50(77)67-43(26-14-19-31-63)54(81)74-49(38(6)76)59(86)87/h8-10,21-22,35-38,40-49,75-76H,7,11-20,23-34,60-65H2,1-6H3,(H,66,78)(H,67,77)(H,68,82)(H,69,84)(H,70,85)(H,71,83)(H,72,79)(H,73,80)(H,74,81)(H,86,87)