2-[(Z)-{2-[(E)-{2-[(E)-{2-[(E)-{2-[(E)-{2-[(E)-(15-carbamimidamido-1,3-dihydroxypentadecylidene)amino]-1,3-dihydroxybutylidene}amino]-1-hydroxy-3-methylbutylidene}amino]-1-hydroxy-3-methylbutylidene}amino]-1,3-dihydroxybutylidene}amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino]propanoic acid
AlkaPlorer ID: AK145532
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(3R)-15-(diaminomethylideneamino)-3-hydroxypentadecanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]propanoic acid
Structure
SMILES: CC(C)[C@H](N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)C[C@H](O)CCCCCCCCCCCCNC(=N)N)[C@@H](C)O)C(C)C)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C42H78N10O12/c1-23(2)32(51-40(62)34(26(6)53)49-31(57)22-28(55)18-16-14-12-10-8-9-11-13-15-17-21-46-42(44)45)37(59)50-33(24(3)4)38(60)52-35(27(7)54)39(61)48-29(19-20-30(43)56)36(58)47-25(5)41(63)64/h23-29,32-35,53-55H,8-22H2,1-7H3,(H2,43,56)(H,47,58)(H,48,61)(H,49,57)(H,50,59)(H,51,62)(H,52,60)(H,63,64)(H4,44,45,46)/t25-,26+,27+,28+,29-,32-,33-,34-,35-/m0/s1
InChIKey: AMKCJAJBTQGGST-QCWGQWHJSA-N
Source
Properties Information
Molecule Weight: 915.1440000000003
TPSA？: 399.5100000000001
MolLogP？: 4.95574000000001
Number of H-Donors: 15
Number of H-Acceptors: 12
RingCount: 0
Activities Information
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