(2S)-5-[2-[[(3R)-4-[[(2S)-1-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butyl]amino]-2-oxidanylidene-ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-[2-[[(3R)-4-[[(2S)-1-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butyl]amino]-2-oxidanylidene-ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-[2-[[(3R)-4-[[(1S)-2-[[2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-3-(tert-butoxycarbonylamino)-4-oxo-butyl]amino]-2-oxo-ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-pentanoic acid CAS Name: (2S)-5-[2-[[(3R)-4-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutyl]amino]-2-oxoethoxy]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-[2-[[(3R)-4-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]amino]-2-oxoethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid Traditional Name: (2S)-5-[2-[[(3R)-4-[[(1S)-2-[[2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-3-(tert-butoxycarbonylamino)-4-keto-butyl]amino]-2-keto-ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-keto-valeric acid Formula: C38H49N7O13 MolecularWeight: 811.83476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)NCC(=O)N)NC(=O)C(CCNC(=O)COC(=O)CCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NCC(=O)NCC(=O)N)NC(=O)[C@@H](CCNC(=O)COC(=O)CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OC(C)(C)C

InChI

InChI=1S/C38H49N7O13/c1-21(33(50)42-18-30(47)41-17-29(39)46)43-34(51)27(44-37(55)58-38(2,3)4)15-16-40-31(48)20-56-32(49)14-13-28(35(52)53)45-36(54)57-19-26-24-11-7-5-9-22(24)23-10-6-8-12-25(23)26/h5-12,21,26-28H,13-20H2,1-4H3,(H2,39,46)(H,40,48)(H,41,47)(H,42,50)(H,43,51)(H,44,55)(H,45,54)(H,52,53)/t21-,27+,28-/m0/s1