(2S)-N-[2-[[(2S)-1-[[(2R,3S)-1-[[(2S,3R)-1-[[(2S,3S)-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]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-1-methyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-[[(2S)-1-[[(2R,3S)-1-[[(2S,3R)-1-[[(2S,3S)-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]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-1-methyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-[[(1S)-1-[[(1R,2S)-1-[[(1S,2R)-1-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]-1-methyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-[[(2S)-1-[[(2R,3S)-1-[[(2S,3R)-1-[[(2S,3S)-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]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1-methyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-[[(2S)-1-[[(2R,3S)-1-[[(2S,3R)-1-[[(2S,3S)-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]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-[[(1S)-1-[[(1R,2S)-1-[[(1S,2R)-1-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-ethyl]-1-methyl-pyrrolidine-2-carboxamide Formula: C46H83N13O11 MolecularWeight: 994.23172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(C(C)CC)NC(=O)C(C(C)C)NC(=O)CNC(=O)C2CCCN2C

Isomeric SMILES

CC[C@H](C)[C@@H](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]([C@@H](C)O)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C

InChI

InChI=1S/C46H83N13O11/c1-11-25(6)34(41(66)52-29(17-14-20-50-46(47)48)45(70)59-22-16-19-31(59)39(64)49-13-3)55-43(68)36(27(8)60)57-44(69)37(28(9)61)56-42(67)35(26(7)12-2)54-40(65)33(24(4)5)53-32(62)23-51-38(63)30-18-15-21-58(30)10/h24-31,33-37,60-61H,11-23H2,1-10H3,(H,49,64)(H,51,63)(H,52,66)(H,53,62)(H,54,65)(H,55,68)(H,56,67)(H,57,69)(H4,47,48,50)/t25-,26-,27-,28+,29-,30-,31-,33-,34-,35+,36-,37-/m0/s1