(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butanoyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butanoyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-amino-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butanoyl]amino]-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[(2R)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[(2R)-3-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]-methylamino]-1-oxopropyl]-methylamino]-3-methyl-1-oxobutyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]-methylamino]-1-oxopropyl]-methylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]-methylamino]propanoyl]-methylamino]-3-methylbutanoyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]-methylamino]propanoyl]-methylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[(2R)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[(2R)-3-amino-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butanoyl]amino]-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butyric acid Formula: C48H86N12O15S2 MolecularWeight: 1135.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C(=O)NC(C)C(=O)N(C)C(CSCNC(=O)C)C(=O)N(C)C(C(C)C)C(=O)O)NC(=O)OC(C)(C)C)N(C)C(=O)C(CSCNC(=O)C)N(C)C(=O)C(C)NC(=O)C(CN)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N(C)[C@@H](CSCNC(=O)C)C(=O)N(C)[C@@H](C(C)C)C(=O)NC[C@H](C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CSCNC(=O)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O)NC(=O)OC(C)(C)C)NC(=O)[C@@H](CN)NC(=O)OC(C)(C)C

InChI

InChI=1S/C48H86N12O15S2/c1-25(2)35(59(17)42(68)33(21-76-23-51-29(7)61)57(15)40(66)27(5)53-37(63)31(19-49)55-45(72)74-47(9,10)11)39(65)50-20-32(56-46(73)75-48(12,13)14)38(64)54-28(6)41(67)58(16)34(22-77-24-52-30(8)62)43(69)60(18)36(26(3)4)44(70)71/h25-28,31-36H,19-24,49H2,1-18H3,(H,50,65)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,55,72)(H,56,73)(H,70,71)/t27-,28-,31+,32+,33-,34-,35-,36-/m0/s1