tert-butyl (2S)-2-[[(2S)-4-[3-[[(2S)-3-[[(2S)-1-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-4-[3-[[(2S)-3-[[(2S)-1-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-4-[3-[[(2S)-3-[[(1S)-2-[[2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-2-(tert-butoxycarbonylamino)-3-oxo-propyl]amino]-3-oxo-propoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-4-[3-[[(2S)-3-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]amino]-3-oxopropoxy]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1,4-dioxobutyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-4-[3-[[(2S)-3-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]amino]-3-oxopropoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-4-[3-[[(2S)-3-[[(1S)-2-[[2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]amino]-2-(tert-butoxycarbonylamino)-3-keto-propyl]amino]-3-keto-propoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-keto-butanoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C53H70N8O14 MolecularWeight: 1043.1681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CC(=O)OCCC(=O)NCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NCC(=O)N)NC(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OCCC(=O)NC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)NCC(=O)N)NC(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C53H70N8O14/c1-31(2)24-40(49(69)74-52(3,4)5)59-47(67)39(60-50(70)73-30-37-35-20-14-12-18-33(35)34-19-13-15-21-36(34)37)26-45(65)72-23-22-43(63)55-27-41(61-51(71)75-53(6,7)8)48(68)58-38(25-32-16-10-9-11-17-32)46(66)57-29-44(64)56-28-42(54)62/h9-21,31,37-41H,22-30H2,1-8H3,(H2,54,62)(H,55,63)(H,56,64)(H,57,66)(H,58,68)(H,59,67)(H,60,70)(H,61,71)/t38-,39-,40-,41-/m0/s1