Mettreleptin

Structural Information

Molecular Formula

C₅₉H₁₀₀N₁₆O₂₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C59H100N16O23S/c1-9-27(4)43(53(92)70-37(58(97)98)25-39(61)79)71-55(94)46(30(7)78)73-52(91)38-13-11-22-75(38)57(96)35(16-19-42(84)85)68-51(90)36(24-26(2)3)69-49(88)33(14-17-40(80)81)66-48(87)32(12-10-21-64-59(62)63)67-54(93)44(28(5)76)74-56(95)45(29(6)77)72-50(89)34(15-18-41(82)83)65-47(86)31(60)20-23-99-8/h26-38,43-46,76-78H,9-25,60H2,1-8H3,(H2,61,79)(H,65,86)(H,66,87)(H,67,93)(H,68,90)(H,69,88)(H,70,92)(H,71,94)(H,72,89)(H,73,91)(H,74,95)(H,80,81)(H,82,83)(H,84,85)(H,97,98)(H4,62,63,64)/t27-,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,43-,44-,45-,46-/m0/s1

InChIKey

WHIYYZMMEMSAMT-SUNQVPMNSA-N

Compound name

(4S)-5-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S,3S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 172915711