Nh2-val-phe-ala-ser-leu-pro-gly-ile-ile-phe-thr-arg-ser-gln-lys-glu-gly-leu-cooh

Structural Information

Molecular Formula

C₉₁H₁₄₇N₂₃O₂₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C91H147N23O25/c1-13-50(9)72(111-69(120)44-99-84(132)66-31-24-38-114(66)89(137)62(39-47(3)4)108-83(131)64(45-115)109-75(123)52(11)100-80(128)60(41-54-25-17-15-18-26-54)106-85(133)71(94)49(7)8)87(135)112-73(51(10)14-2)86(134)107-61(42-55-27-19-16-20-28-55)81(129)113-74(53(12)117)88(136)105-57(30-23-37-97-91(95)96)78(126)110-65(46-116)82(130)104-59(32-34-67(93)118)79(127)102-56(29-21-22-36-92)77(125)103-58(33-35-70(121)122)76(124)98-43-68(119)101-63(90(138)139)40-48(5)6/h15-20,25-28,47-53,56-66,71-74,115-117H,13-14,21-24,29-46,92,94H2,1-12H3,(H2,93,118)(H,98,124)(H,99,132)(H,100,128)(H,101,119)(H,102,127)(H,103,125)(H,104,130)(H,105,136)(H,106,133)(H,107,134)(H,108,131)(H,109,123)(H,110,126)(H,111,120)(H,112,135)(H,113,129)(H,121,122)(H,138,139)(H4,95,96,97)/t50-,51-,52-,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-,72-,73-,74-/m0/s1

InChIKey

VREDCAXFNDRGGV-OJRAQHQOSA-N

Compound name

(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16728442