tert-butyl (2S)-2-[[(2S)-5-azanyl-1-[[(2S)-5-azanyl-1-[[(2R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]-2-oxidanylidene-ethyl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-5-azanyl-1-[[(2S)-5-azanyl-1-[[(2R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]-2-oxidanylidene-ethyl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[(1R)-1-benzyl-2-[[(1S)-1-benzyl-2-[[2-[[(1S)-1-[[(1R)-1-methoxycarbonyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]-methyl-amino]-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[(1R)-1-benzyl-2-[[(1S)-1-benzyl-2-[[2-[[(1S)-1-[[(1R)-1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-3-methyl-butyl]-methyl-amino]-2-keto-ethyl]-methyl-amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-4-keto-butyl]carbamoyl]-4-keto-butyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C54H80N10O13S MolecularWeight: 1109.3372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)OC)N(C)C(=O)CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CCSC)C(=O)OC)N(C)C(=O)CN(C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C54H80N10O13S/c1-33(2)29-42(50(72)59-38(26-28-78-9)52(74)76-8)63(7)45(67)32-62(6)51(73)40(31-35-19-14-11-15-20-35)61-48(70)39(30-34-17-12-10-13-18-34)60-47(69)36(22-24-43(55)65)57-46(68)37(23-25-44(56)66)58-49(71)41-21-16-27-64(41)53(75)77-54(3,4)5/h10-15,17-20,33,36-42H,16,21-32H2,1-9H3,(H2,55,65)(H2,56,66)(H,57,68)(H,58,71)(H,59,72)(H,60,69)(H,61,70)/t36-,37-,38+,39+,40-,41-,42-/m0/s1