2-[[(2S)-4-[bis(4-methoxyphenyl)methylamino]-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-2-[methyl-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenyl-propanoyl]amino]butanoyl]amino]butanoyl]pyrrolidin-2-yl]carbonyl-amino]-4-oxidanylidene-butanoyl]-methyl-amino]propanoic acid

Systemtic Name: 2-[[(2S)-4-[bis(4-methoxyphenyl)methylamino]-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-2-[methyl-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenyl-propanoyl]amino]butanoyl]amino]butanoyl]pyrrolidin-2-yl]carbonyl-amino]-4-oxidanylidene-butanoyl]-methyl-amino]propanoic acid Openeye Name: 2-[[(2S)-4-[bis(4-methoxyphenyl)methylamino]-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]-methyl-amino]-4-oxo-butanoyl]-methyl-amino]propanoic acid CAS Name: 2-[[(2S)-4-[bis(4-methoxyphenyl)methylamino]-2-[methyl-[[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-2-[methyl-[3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxobutyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,4-dioxobutyl]-methylamino]propanoic acid IUPAC Name: 2-[[(2S)-4-[bis(4-methoxyphenyl)methylamino]-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-2-[methyl-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]-methylamino]propanoic acid Traditional Name: 2-[[(2S)-4-[bis(4-methoxyphenyl)methylamino]-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]prolyl]-methyl-amino]-4-keto-butanoyl]-methyl-amino]propionic acid Formula: C61H88N8O13 MolecularWeight: 1141.39722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)N(C)C(CC(=O)NC(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C(=O)N(C)C(C)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC(=O)NC(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C(=O)N(C)C(C)C(=O)O)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C(=O)C(C(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C61H88N8O13/c1-36(2)49(63-60(79)82-61(8,9)10)56(74)66(13)46(34-40-22-19-18-20-23-40)55(73)67(14)51(37(3)4)57(75)68(15)52(38(5)6)58(76)69-33-21-24-45(69)53(71)65(12)47(54(72)64(11)39(7)59(77)78)35-48(70)62-50(41-25-29-43(80-16)30-26-41)42-27-31-44(81-17)32-28-42/h18-20,22-23,25-32,36-39,45-47,49-52H,21,24,33-35H2,1-17H3,(H,62,70)(H,63,79)(H,77,78)/t39?,45-,46-,47-,49?,51?,52-/m0/s1