[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate; (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate; (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate; (2S)-2-amino-5-guanidino-pentanoic acid CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 2,2-dimethylbutanoic acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-amino-5-guanidino-valeric acid; 2,2-dimethylbutyric acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester Formula: C31H52N4O7 MolecularWeight: 592.76718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C.C(C[C@@H](C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C25H38O5.C6H14N4O2/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19;7-4(5(11)12)2-1-3-10-6(8)9/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3;4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t15-,16-,18+,19+,20-,21-,23-;4-/m00/s1