2-[[2-[[6-azanyl-2-[[2-[[6-azanyl-2-[[2-[[6-azanyl-2-[[2-[[6-azanyl-2-[(2-azanyl-3-sulfanyl-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[2-[[6-azanyl-2-[[2-[[6-azanyl-2-[[2-[[6-azanyl-2-[[2-[[6-azanyl-2-[(2-azanyl-3-sulfanyl-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-3-sulfanyl-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-3-mercapto-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-mercapto-propionic acid Formula: C66H96N14O11S2 MolecularWeight: 1325.68564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCCN)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CCCCN)NC(=O)C(CS)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCCN)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CCCCN)NC(=O)C(CS)N

InChI

InChI=1S/C66H96N14O11S2/c67-33-17-13-29-48(72-57(81)47(71)41-92)58(82)76-52(37-43-21-5-1-6-22-43)62(86)73-49(30-14-18-34-68)59(83)77-53(38-44-23-7-2-8-24-44)63(87)74-50(31-15-19-35-69)60(84)78-54(39-45-25-9-3-10-26-45)64(88)75-51(32-16-20-36-70)61(85)79-55(40-46-27-11-4-12-28-46)65(89)80-56(42-93)66(90)91/h1-12,21-28,47-56,92-93H,13-20,29-42,67-71H2,(H,72,81)(H,73,86)(H,74,87)(H,75,88)(H,76,82)(H,77,83)(H,78,84)(H,79,85)(H,80,89)(H,90,91)