Sdf-1.beta.t

Structural Information

Molecular Formula

C₁₃₁H₂₁₁N₃₃O₃₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)O)N

InChI

InChI=1S/C131H211N33O32S/c1-13-74(9)107(139)127(192)162-100(69-106(172)173)129(194)164-60-31-42-101(164)126(191)152-87(40-24-29-58-136)114(179)156-94(63-72(5)6)119(184)147-86(39-23-28-57-135)113(178)160-98(67-79-70-143-82-35-19-18-34-81(79)82)125(190)163-108(75(10)14-2)128(193)153-89(47-50-102(137)166)116(181)150-91(49-52-105(170)171)118(183)159-97(66-78-43-45-80(165)46-44-78)123(188)157-95(64-73(7)8)120(185)151-90(48-51-104(168)169)117(182)145-83(36-20-25-54-132)110(175)144-76(11)109(174)155-93(62-71(3)4)121(186)161-99(68-103(138)167)124(189)149-84(37-21-26-55-133)111(176)146-88(41-30-59-142-131(140)141)115(180)158-96(65-77-32-16-15-17-33-77)122(187)148-85(38-22-27-56-134)112(177)154-92(130(195)196)53-61-197-12/h15-19,32-35,43-46,70-76,83-101,107-108,143,165H,13-14,20-31,36-42,47-69,132-136,139H2,1-12H3,(H2,137,166)(H2,138,167)(H,144,175)(H,145,182)(H,146,176)(H,147,184)(H,148,187)(H,149,189)(H,150,181)(H,151,185)(H,152,191)(H,153,193)(H,154,177)(H,155,174)(H,156,179)(H,157,188)(H,158,180)(H,159,183)(H,160,178)(H,161,186)(H,162,192)(H,163,190)(H,168,169)(H,170,171)(H,172,173)(H,195,196)(H4,140,141,142)/t74-,75-,76-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-,108-/m0/s1

InChIKey

CMPZXQBUJBTNGM-NSDSNKFMSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131979