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Substance Name: L 733560
RN: 150283-06-0
InChIKey: UWUVRFXWJQIKTQ-NQPUGUJXSA-N

Note

  • A semisynthetic pneumocandin.

Molecular Weight

  • 1092.29
 
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Names and Synonyms

Name of Substance

  • L 733560

Systematic Name

  • Pneumocandin B0, 1-((4R,5R)-5-(2-aminoethoxy)-N2-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine)-5-((3R)-3-hydroxy-L-ornithine)

Registry Numbers

CAS Registry Number

  • 150283-06-0

System Generated Number

  • 0150283060

Structure Descriptors

InChI

1S/C52H85N9O16/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(68)55-34-26-38(67)50(77-23-21-54)59-49(74)43-37(66)19-22-60(43)52(76)41(36(65)18-20-53)57-48(73)42(45(70)44(69)31-14-16-32(63)17-15-31)58-47(72)35-25-33(64)27-61(35)51(75)40(30(4)62)56-46(34)71/h14-17,28-30,33-38,40-43,45,50,62-67,70H,5-13,18-27,53-54H2,1-4H3,(H,55,68)(H,56,71)(H,57,73)(H,58,72)(H,59,74)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40?,41+,42?,43+,45+,50+/m1/s1

InChIKey

UWUVRFXWJQIKTQ-NQPUGUJXSA-N

Smiles

NCCO[C@H]1[C@@H](C[C@H](NC(=O)CCCCCCCC[C@@H](C)C[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(N2C[C@@H](C[C@H]2C(=O)N[C@@H]([C@@H](C(=O)c2ccc(cc2)O)O)C(N[C@@H]([C@@H](CCN)O)C(N2CC[C@@H]([C@H]2C(=O)N1)O)=O)=O)O)=O)O