(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-methyl-butanoyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-methyl-butanoyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-5-(tert-butoxycarbonylamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[[[(2S)-1-[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-5-(tert-butoxycarbonylamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]prolyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-valeric acid Formula: C49H73N7O12 MolecularWeight: 952.14362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CCCNC(=O)OC(C)(C)C)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C49H73N7O12/c1-29(2)26-37(45(63)64)53-40(58)34(18-14-24-50-46(65)67-48(5,6)7)51-43(61)39(30(3)4)55-41(59)35(27-32-20-22-33(57)23-21-32)52-42(60)38-19-15-25-56(38)44(62)36(28-31-16-12-11-13-17-31)54-47(66)68-49(8,9)10/h11-13,16-17,20-23,29-30,34-39,57H,14-15,18-19,24-28H2,1-10H3,(H,50,65)(H,51,61)(H,52,60)(H,53,58)(H,54,66)(H,55,59)(H,63,64)/t34-,35+,36+,37-,38-,39-/m0/s1