(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (2S)-6-(benzyloxycarbonylamino)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid CAS Name: (2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (2S)-6-(benzyloxycarbonylamino)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid Formula: C39H47N5O9 MolecularWeight: 729.81858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCCCNC(=O)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCCNC(=O)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C39H47N5O9/c1-39(2,3)53-38(51)44-32(21-25-16-18-28(45)19-17-25)34(46)43-33(22-27-23-41-30-14-8-7-13-29(27)30)35(47)42-31(36(48)49)15-9-10-20-40-37(50)52-24-26-11-5-4-6-12-26/h4-8,11-14,16-19,23,31-33,41,45H,9-10,15,20-22,24H2,1-3H3,(H,40,50)(H,42,47)(H,43,46)(H,44,51)(H,48,49)/t31-,32-,33+/m0/s1