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

Systemtic Name: 4-azanyl-2-[[2-[[2-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[6-azanyl-2-[[2-(2-azanylethanoylamino)-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-(glycylamino)-3-hydroxy-butanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-keto-butyric acid Formula: C61H90N14O17 MolecularWeight: 1291.4509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)CN

InChI

InChI=1S/C61H90N14O17/c1-34(2)26-42(68-56(86)43(27-36-14-6-4-7-15-36)69-53(83)41(19-11-13-25-63)67-60(90)51(35(3)78)75-50(81)31-64)54(84)73-47(32-76)58(88)71-45(29-38-20-22-39(79)23-21-38)55(85)66-40(18-10-12-24-62)52(82)70-44(28-37-16-8-5-9-17-37)57(87)74-48(33-77)59(89)72-46(61(91)92)30-49(65)80/h4-9,14-17,20-23,34-35,40-48,51,76-79H,10-13,18-19,24-33,62-64H2,1-3H3,(H2,65,80)(H,66,85)(H,67,90)(H,68,86)(H,69,83)(H,70,82)(H,71,88)(H,72,89)(H,73,84)(H,74,87)(H,75,81)(H,91,92)