Nh2-ile-asp-pro-lys-leu-lys-trp-ile-gln-glu-tyr-leu-glu-lys-ala-leu-asn-lys-cooh (derived from human stromal cell-derived factor 1.alpha. (51-68)

Structural Information

Molecular Formula

C₁₀₅H₁₆₉N₂₅O₂₈

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)O)N

InChI

InChI=1S/C105H169N25O28/c1-12-58(9)86(112)102(154)128-79(53-85(138)139)104(156)130-46-24-31-80(130)101(153)119-68(29-18-22-44-108)91(143)123-74(48-56(5)6)95(147)116-67(28-17-21-43-107)90(142)126-77(51-62-54-113-65-26-15-14-25-64(62)65)100(152)129-87(59(10)13-2)103(155)120-69(36-39-81(110)132)92(144)117-71(38-41-84(136)137)94(146)125-76(50-61-32-34-63(131)35-33-61)98(150)124-75(49-57(7)8)96(148)118-70(37-40-83(134)135)93(145)115-66(27-16-20-42-106)89(141)114-60(11)88(140)122-73(47-55(3)4)97(149)127-78(52-82(111)133)99(151)121-72(105(157)158)30-19-23-45-109/h14-15,25-26,32-35,54-60,66-80,86-87,113,131H,12-13,16-24,27-31,36-53,106-109,112H2,1-11H3,(H2,110,132)(H2,111,133)(H,114,141)(H,115,145)(H,116,147)(H,117,144)(H,118,148)(H,119,153)(H,120,155)(H,121,151)(H,122,140)(H,123,143)(H,124,150)(H,125,146)(H,126,142)(H,127,149)(H,128,154)(H,129,152)(H,134,135)(H,136,137)(H,138,139)(H,157,158)/t58-,59-,60-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,86-,87-/m0/s1

InChIKey

BLEGPCNRFVVCTG-BYYHTAAHSA-N

Compound name

(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(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]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid

Related CIDs

• CID 16131981