benzyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-6-phenylmethoxycarbonylamino-hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Molecular Formula:
C51H68N8O10S
InChI: InChI=1/C51H68N8O10S/c1-33(2)27-43(57-46(61)41(52)19-12-13-25-55-51(65)69-32-39-17-10-7-11-18-39)48(63)56-42(20-14-26-54-50(53)59-70(66,67)45-35(4)28-34(3)29-36(45)5)47(62)58-44(30-37-21-23-40(60)24-22-37)49(64)68-31-38-15-8-6-9-16-38/h6-11,15-18,21-24,28-29,33,41-44,60H,12-14,19-20,25-27,30-32,52H2,1-5H3,(H,55,65)(H,56,63)(H,57,61)(H,58,62)(H3,53,54,59)/t41-,42+,43+,44+/m1/s1/f/h55-59H,53H2/b54-50+
InChIKey: InChIKey=GZTVOECBICYCJA-HYNDGECADA
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(=NCCCC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OCC3=CC=CC=C3)NC(=O)C(CC(C)C)NC(=O)C(CCCCNC(=O)OCC4=CC=CC=C4)N)N)C
Names:
benzyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-6-phenylmethoxycarbonylamino-hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Registries:
PubChem CID 10350993
PubChem ID 15362476
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