(2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S,3S)-3-methyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2R,3S)-3-methyl-2-[[(2S)-3-methyl-2-[2-[2-[methyl-[(6-methylpyridin-3-yl)methyl]amino]ethanoylamino]ethanoylamino]butanoyl]amino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]-N-ethyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S,3S)-3-methyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2R,3S)-3-methyl-2-[[(2S)-3-methyl-2-[2-[2-[methyl-[(6-methylpyridin-3-yl)methyl]amino]ethanoylamino]ethanoylamino]butanoyl]amino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]-N-ethyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-ethyl-1-[(2S)-5-guanidino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2R,3S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[[2-[methyl-[(6-methyl-3-pyridyl)methyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]pentanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-methyl-pentanoyl]amino]pentanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2R,3S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[[2-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxobutyl]amino]-1-oxopentyl]amino]-1-oxobutyl]amino]-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxopentyl]-N-ethyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2R,3S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[[2-[methyl-[(6-methylpyridin-3-yl)methyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]pentanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-ethyl-1-[(2S)-5-guanidino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2R,3S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[[2-[methyl-[(6-methyl-3-pyridyl)methyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]pentanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-methyl-pentanoyl]amino]pentanoyl]pyrrolidine-2-carboxamide Formula: C51H88N14O10 MolecularWeight: 1057.33222

Click to see the large picture

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(C(C)CC)NC(=O)C(C(C)C)NC(=O)CNC(=O)CN(C)CC2=CN=C(C=C2)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]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CN(C)CC2=CN=C(C=C2)C

InChI

InChI=1S/C51H88N14O10/c1-12-18-35(44(69)61-41(30(7)13-2)47(72)59-36(19-16-23-55-51(52)53)50(75)65-24-17-20-37(65)45(70)54-15-4)58-49(74)43(33(10)66)63-48(73)42(31(8)14-3)62-46(71)40(29(5)6)60-38(67)26-57-39(68)28-64(11)27-34-22-21-32(9)56-25-34/h21-22,25,29-31,33,35-37,40-43,66H,12-20,23-24,26-28H2,1-11H3,(H,54,70)(H,57,68)(H,58,74)(H,59,72)(H,60,67)(H,61,69)(H,62,71)(H,63,73)(H4,52,53,55)/t30-,31-,33+,35-,36-,37-,40-,41-,42+,43-/m0/s1