(2R)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]oxy-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2R)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]oxy-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2R)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]oxy-2-(benzyloxycarbonylamino)propanoic acid CAS Name: (2R)-3-[(2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[(2R)-3-[(2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutoxy]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutoxy]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2R)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]oxy-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2R)-3-[(2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[(2R)-3-[(2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]oxy-2-(benzyloxycarbonylamino)propionic acid Formula: C62H84N10O19S2 MolecularWeight: 1337.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(C(=O)O)NC(=O)OCC1=CC=CC=C1)NC(=O)C(CSCNC(=O)C)NC(=O)C(C)NC(=O)C(COC(=O)C(C(C)C)NC(=O)C(CSCNC(=O)C)NC(=O)C(C)NC(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CSCNC(=O)C)C(=O)N[C@@H](C(C)C)C(=O)OC[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)NC(=O)[C@@H](COC(=O)[C@H](C(C)C)NC(=O)[C@H](CSCNC(=O)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C62H84N10O19S2/c1-33(2)49(71-55(79)48(30-93-32-64-38(8)74)68-52(76)36(6)66-61(86)91-62(9,10)11)57(82)87-27-45(69-59(84)90-26-44-42-23-17-15-21-40(42)41-22-16-18-24-43(41)44)53(77)65-35(5)51(75)67-47(29-92-31-63-37(7)73)54(78)72-50(34(3)4)58(83)88-28-46(56(80)81)70-60(85)89-25-39-19-13-12-14-20-39/h12-24,33-36,44-50H,25-32H2,1-11H3,(H,63,73)(H,64,74)(H,65,77)(H,66,86)(H,67,75)(H,68,76)(H,69,84)(H,70,85)(H,71,79)(H,72,78)(H,80,81)/t35-,36-,45+,46+,47-,48-,49-,50-/m0/s1