Nh2-ser-pro-ala-ile-phe-gln-ser-ser-met-thr-lys-ile-leu-glu-pro-phe-arg-lys-gln-asn-cooh

Structural Information

Molecular Formula

C₁₀₄H₁₆₈N₂₈O₃₀S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CO)N

InChI

InChI=1S/C104H168N28O30S/c1-10-55(5)81(128-84(142)57(7)114-96(154)75-32-23-44-131(75)101(159)61(107)51-133)98(156)124-71(49-60-27-16-13-17-28-60)93(151)118-66(35-38-78(109)138)88(146)126-74(53-135)95(153)127-73(52-134)94(152)119-67(40-46-163-9)90(148)130-83(58(8)136)100(158)120-63(30-19-21-42-106)89(147)129-82(56(6)11-2)99(157)123-69(47-54(3)4)91(149)121-68(36-39-80(140)141)102(160)132-45-24-33-76(132)97(155)122-70(48-59-25-14-12-15-26-59)92(150)116-64(31-22-43-113-104(111)112)86(144)115-62(29-18-20-41-105)85(143)117-65(34-37-77(108)137)87(145)125-72(103(161)162)50-79(110)139/h12-17,25-28,54-58,61-76,81-83,133-136H,10-11,18-24,29-53,105-107H2,1-9H3,(H2,108,137)(H2,109,138)(H2,110,139)(H,114,154)(H,115,144)(H,116,150)(H,117,143)(H,118,151)(H,119,152)(H,120,158)(H,121,149)(H,122,155)(H,123,157)(H,124,156)(H,125,145)(H,126,146)(H,127,153)(H,128,142)(H,129,147)(H,130,148)(H,140,141)(H,161,162)(H4,111,112,113)/t55-,56-,57-,58+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,81-,82-,83-/m0/s1

InChIKey

SPSDSHPDOMBJCG-ZJJHYXEDSA-N

Compound name

(4S)-5-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133661