methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-3-methyl-2-[[(2S)-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]amino]propanoyl]amino]pent-4-enoyl]amino]pent-4-enoyl]amino]-4-oxidanylidene-4-[(triphenylmethyl)amino]butanoyl]amino]pent-4-enoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-3-methyl-2-[[(2S)-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]amino]propanoyl]amino]pent-4-enoyl]amino]pent-4-enoyl]amino]-4-oxidanylidene-4-[(triphenylmethyl)amino]butanoyl]amino]pent-4-enoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-2-[[(2S)-2-[[(2R,3R)-2-(tert-butoxycarbonylamino)-3-methyl-pent-4-enoyl]amino]propanoyl]amino]-3-methyl-pent-4-enoyl]amino]pent-4-enoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]pent-4-enoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-3-methyl-2-[[(2S)-2-[[(2R,3R)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopent-4-enyl]amino]-1-oxopropyl]amino]-1-oxopent-4-enyl]amino]-1-oxopent-4-enyl]amino]-1,4-dioxo-4-[(triphenylmethyl)amino]butyl]amino]-4-pentenoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-3-methyl-2-[[(2S)-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]amino]propanoyl]amino]pent-4-enoyl]amino]pent-4-enoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]pent-4-enoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-2-[[(2S)-2-[[(2R,3R)-2-(tert-butoxycarbonylamino)-3-methyl-pent-4-enoyl]amino]propanoyl]amino]-3-methyl-pent-4-enoyl]amino]pent-4-enoyl]amino]-4-keto-4-(tritylamino)butanoyl]amino]pent-4-enoic acid methyl ester Formula: C54H69N7O10 MolecularWeight: 976.16656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C(C(=O)NC(CC=C)C(=O)NC(CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(CC=C)C(=O)OC)NC(=O)C(C)NC(=O)C(C(C)C=C)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C=C)[C@H](C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N[C@@H](CC=C)C(=O)OC)NC(=O)[C@H](C)NC(=O)[C@@H]([C@H](C)C=C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C54H69N7O10/c1-12-25-40(56-50(67)44(34(5)14-3)59-46(63)36(7)55-49(66)45(35(6)15-4)60-52(69)71-53(8,9)10)47(64)58-42(48(65)57-41(26-13-2)51(68)70-11)33-43(62)61-54(37-27-19-16-20-28-37,38-29-21-17-22-30-38)39-31-23-18-24-32-39/h12-24,27-32,34-36,40-42,44-45H,1-4,25-26,33H2,5-11H3,(H,55,66)(H,56,67)(H,57,65)(H,58,64)(H,59,63)(H,60,69)(H,61,62)/t34-,35-,36+,40+,41+,42+,44-,45-/m1/s1