methyl 2-methyl-2-[[(2S)-3-methyl-2-[[(2S,3R)-2-[[2-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-phenylmethoxy-butanoyl]amino]butanoyl]amino]propanoate

Systemtic Name: methyl 2-methyl-2-[[(2S)-3-methyl-2-[[(2S,3R)-2-[[2-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-phenylmethoxy-butanoyl]amino]butanoyl]amino]propanoate Openeye Name: methyl 2-[[(2S)-2-[[(2S,3R)-3-benzyloxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]butanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoate CAS Name: 2-methyl-2-[[(2S)-3-methyl-2-[[(2S,3R)-2-[[2-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylmethoxybutyl]amino]-1-oxobutyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[[(2S)-3-methyl-2-[[(2S,3R)-2-[[2-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-phenylmethoxybutanoyl]amino]butanoyl]amino]propanoate Traditional Name: 2-[[(2S)-2-[[(2S,3R)-3-benzoxy-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-2-methyl-propanoyl]amino]butanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propionic acid methyl ester Formula: C50H84N8O12 MolecularWeight: 989.24836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)(C)C(=O)NC(C(C)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)OC)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)OCC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C50H84N8O12/c1-20-30(8)36(53-38(59)33(27(2)3)51-39(60)34(28(4)5)54-44(65)49(15,16)58-46(67)70-47(10,11)12)42(63)56-48(13,14)43(64)55-37(31(9)69-26-32-24-22-21-23-25-32)40(61)52-35(29(6)7)41(62)57-50(17,18)45(66)68-19/h21-25,27-31,33-37H,20,26H2,1-19H3,(H,51,60)(H,52,61)(H,53,59)(H,54,65)(H,55,64)(H,56,63)(H,57,62)(H,58,67)/t30-,31+,33-,34-,35-,36-,37-/m0/s1