2-[[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-N-[2-[2-[[2-[[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethyldisulfanyl]ethyl]-4-methyl-pentanamide

Systemtic Name: 2-[[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-N-[2-[2-[[2-[[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethyldisulfanyl]ethyl]-4-methyl-pentanamide Openeye Name: 2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenyl-propanoyl]amino]-N-[2-[2-[[2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethyldisulfanyl]ethyl]-4-methyl-pentanamide CAS Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-N-[2-[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]ethyldisulfanyl]ethyl]-4-methylpentanamide IUPAC Name: 2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropanoyl]amino]-N-[2-[2-[[2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]ethyldisulfanyl]ethyl]-4-methylpentanamide Traditional Name: 4-methyl-N-[2-[2-[[4-methyl-2-[[3-phenyl-2-[[2-[2-(tyrosylamino)propanoylamino]acetyl]amino]propanoyl]amino]pentanoyl]amino]ethyldisulfanyl]ethyl]-2-[[3-phenyl-2-[[2-[2-(tyrosylamino)propanoylamino]acetyl]amino]propanoyl]amino]valeramide Formula: C62H86N12O12S2 MolecularWeight: 1255.54944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCSSCCNC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)C(C)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CC(C)CC(C(=O)NCCSSCCNC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)C(C)NC(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C62H86N12O12S2/c1-37(2)29-49(73-61(85)51(33-41-13-9-7-10-14-41)71-53(77)35-67-55(79)39(5)69-57(81)47(63)31-43-17-21-45(75)22-18-43)59(83)65-25-27-87-88-28-26-66-60(84)50(30-38(3)4)74-62(86)52(34-42-15-11-8-12-16-42)72-54(78)36-68-56(80)40(6)70-58(82)48(64)32-44-19-23-46(76)24-20-44/h7-24,37-40,47-52,75-76H,25-36,63-64H2,1-6H3,(H,65,83)(H,66,84)(H,67,79)(H,68,80)(H,69,81)(H,70,82)(H,71,77)(H,72,78)(H,73,85)(H,74,86)