2-[[2-[[3-(1H-indol-3-yl)-2-[[2-[2-[[2-[[2-[[2-[[3-methyl-2-(pyrrolidin-2-ylcarbonylamino)butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[3-(1H-indol-3-yl)-2-[[2-[2-[[2-[[2-[[2-[[3-methyl-2-(pyrrolidin-2-ylcarbonylamino)butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[5-hydroxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[3-methyl-2-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-phenyl-propanoyl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-5-oxo-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[5-hydroxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[3-methyl-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]butyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[5-hydroxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[3-methyl-2-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[5-hydroxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[3-methyl-2-(prolylamino)butanoyl]amino]-3-phenyl-propanoyl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-5-keto-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C65H83N11O14 MolecularWeight: 1242.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC4=CC=CC=C4)NC(=O)C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(C(C)C)NC(=O)C6CCCN6

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC4=CC=CC=C4)NC(=O)C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(C(C)C)NC(=O)C6CCCN6

InChI

InChI=1S/C65H83N11O14/c1-37(2)30-52(65(89)90)74-60(84)49(32-41-20-11-7-12-21-41)70-61(85)51(34-43-35-67-45-25-16-15-24-44(43)45)71-59(83)47(27-28-54(79)80)69-53(78)36-68-57(81)48(31-40-18-9-6-10-19-40)72-64(88)56(39(5)77)76-62(86)50(33-42-22-13-8-14-23-42)73-63(87)55(38(3)4)75-58(82)46-26-17-29-66-46/h6-16,18-25,35,37-39,46-52,55-56,66-67,77H,17,26-34,36H2,1-5H3,(H,68,81)(H,69,78)(H,70,85)(H,71,83)(H,72,88)(H,73,87)(H,74,84)(H,75,82)(H,76,86)(H,79,80)(H,89,90)