N-[2-[[2-[[4-[[(2R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]cyclopent-2-en-1-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-N,6-dimethyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[[2-[[4-[[(2R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]cyclopent-2-en-1-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-N,6-dimethyl-pyridine-3-carboxamide Openeye Name: N-[2-[[2-[[4-[[(1R)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]cyclopent-2-en-1-yl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-N,6-dimethyl-pyridine-3-carboxamide CAS Name: N-[2-[[2-[[4-[[[(2R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-cyclopent-2-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N,6-dimethyl-3-pyridinecarboxamide IUPAC Name: N-[2-[[2-[[4-[[(2R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclopent-2-en-1-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N,6-dimethylpyridine-3-carboxamide Traditional Name: N-[2-[[2-[[4-[[(1R)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]cyclopent-2-en-1-yl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]-N,6-dimethyl-nicotinamide Formula: C52H84N14O11 MolecularWeight: 1081.31056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(C(C)CC)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)C2CC(C=C2)NC(=O)CNC(=O)CN(C)C(=O)C3=CN=C(C=C3)C

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)C2CC(C=C2)NC(=O)CNC(=O)CN(C)C(=O)C3=CN=C(C=C3)C

InChI

InChI=1S/C52H84N14O11/c1-10-15-36(45(71)63-42(30(6)11-2)48(74)61-37(16-13-22-56-52(53)54)51(77)66-23-14-17-39(66)47(73)55-12-3)60-49(75)43(32(8)67)64-46(72)38(24-29(4)5)62-44(70)33-20-21-35(25-33)59-40(68)27-58-41(69)28-65(9)50(76)34-19-18-31(7)57-26-34/h18-21,26,29-30,32-33,35-39,42-43,67H,10-17,22-25,27-28H2,1-9H3,(H,55,73)(H,58,69)(H,59,68)(H,60,75)(H,61,74)(H,62,70)(H,63,71)(H,64,72)(H4,53,54,56)/t30-,32+,33?,35?,36-,37-,38+,39-,42-,43-/m0/s1