(2S)-1-[(2S)-2-[2-(2-azanylethanoylamino)ethanoylamino]-3-methyl-butanoyl]-N-[2-[[2-[[(2S)-1-[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-2-methanoylpyrrolidin-1-yl]-3-methyl-1-oxidanylidene-but-3-en-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-[2-(2-azanylethanoylamino)ethanoylamino]-3-methyl-butanoyl]-N-[2-[[2-[[(2S)-1-[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-2-methanoylpyrrolidin-1-yl]-3-methyl-1-oxidanylidene-but-3-en-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methyl-butanoyl]-N-[2-[[2-[[(1S)-1-[(2S)-2-[[2-[[2-[[(1S)-1-[(2S)-2-formylpyrrolidine-1-carbonyl]-2-methyl-allyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]-N-[2-[[2-[[(2S)-1-[(2S)-2-[[[2-[[2-[[(2S)-1-[(2S)-2-formyl-1-pyrrolidinyl]-3-methyl-1-oxobut-3-en-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoyl]-N-[2-[[2-[[(2S)-1-[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-[[2-[[(1S)-1-[(2S)-2-[[2-[[2-[[(1S)-1-[(2S)-2-formylpyrrolidine-1-carbonyl]-2-methyl-allyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]-1-[(2S)-2-[[2-(glycylamino)acetyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide Formula: C42H66N12O12 MolecularWeight: 931.04664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NCC(=O)NCC(=O)NC(C(=C)C)C(=O)N3CCCC3C=O)NC(=O)CNC(=O)CN

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)NCC(=O)N[C@@H](C(=C)C)C(=O)N3CCC[C@H]3C=O)NC(=O)CNC(=O)CN

InChI

InChI=1S/C42H66N12O12/c1-23(2)35(40(64)52-13-7-10-26(52)22-55)49-33(60)20-45-30(57)17-47-39(63)28-12-9-15-54(28)42(66)37(25(5)6)51-34(61)21-46-31(58)18-48-38(62)27-11-8-14-53(27)41(65)36(24(3)4)50-32(59)19-44-29(56)16-43/h22,24-28,35-37H,1,7-21,43H2,2-6H3,(H,44,56)(H,45,57)(H,46,58)(H,47,63)(H,48,62)(H,49,60)(H,50,59)(H,51,61)/t26-,27-,28-,35-,36-,37-/m0/s1