Name: A-208
IUPAC: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C)C(C)CCanonical SMILES:
CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(C)NSummenformel: C50H90N16O17
Molare Masse: 1187.30
InChIKey: LLBBBILJVSBMEP-SYKCYQQSSA-N
InChI:
PubChem CID: 101339459 →InChI=1S/C50H90N16O17/c1-11-24(6)37(66-45(78)33(21-68)62-40(73)26(8)56-38(71)25(7)52)48(81)59-29(15-12-13-17-51)42(75)65-35(22(2)3)46(79)58-28(10)41(74)64-36(23(4)5)47(80)63-32(20-67)44(77)57-27(9)39(72)61-31(19-34(69)70)43(76)60-30(49(82)83)16-14-18-55-50(53)54/h22-33,35-37,67-68H,11-21,51-52H2,1-10H3,(H,56,71)(H,57,77)(H,58,79)(H,59,81)(H,60,76)(H,61,72)(H,62,73)(H,63,80)(H,64,74)(H,65,75)(H,66,78)(H,69,70)(H,82,83)(H4,53,54,55)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,35-,36-,37-/m0/s1Synonyme
A-208LLBBBILJVSBMEP-SYKCYQQSSA-N
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