methyl (2S)-2-[[4-azanyl-2-[methyl-[(2S)-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidin-2-yl]carbonyl-amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]-methyl-amino]propanoate

Systemtic Name: methyl (2S)-2-[[4-azanyl-2-[methyl-[(2S)-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidin-2-yl]carbonyl-amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]-methyl-amino]propanoate Openeye Name: methyl (2S)-2-[[4-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-4-oxo-butanoyl]-methyl-amino]propanoate CAS Name: (2S)-2-[[4-amino-2-[methyl-[(2S)-2-[methyl-[[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1,4-dioxobutyl]-methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-amino-2-[methyl-[(2S)-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]-methylamino]propanoate Traditional Name: (2S)-2-[[4-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]prolyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-4-keto-butanoyl]-methyl-amino]propionic acid methyl ester Formula: C47H76N8O11 MolecularWeight: 929.15334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=CC=C2)C(=O)N(C)C(CC(=O)N)C(=O)N(C)C(C)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OC)N(C)C(=O)C(CC(=O)N)N(C)C(=O)[C@H](CC1=CC=CC=C1)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C47H76N8O11/c1-27(2)36(49-46(64)66-47(8,9)10)42(60)53(14)37(28(3)4)43(61)54(15)38(29(5)6)44(62)55-24-20-23-32(55)39(57)51(12)33(25-31-21-18-17-19-22-31)41(59)52(13)34(26-35(48)56)40(58)50(11)30(7)45(63)65-16/h17-19,21-22,27-30,32-34,36-38H,20,23-26H2,1-16H3,(H2,48,56)(H,49,64)/t30-,32-,33-,34?,36-,37?,38-/m0/s1