Nh2-tyr-tyr-thr-ser-glu-procys-gln-lys-ile-asn-val-lys-gln-ile-ala-ala-arg-leu-leu-pro-cooh

Structural Information

Molecular Formula

C₁₁₀H₁₇₉N₂₉O₃₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C110H179N29O31S/c1-14-57(9)86(104(164)121-59(11)89(149)120-60(12)90(150)122-69(25-20-44-119-110(117)118)93(153)129-73(47-54(3)4)97(157)131-76(48-55(5)6)108(168)139-46-22-27-80(139)109(169)170)135-96(156)71(37-40-82(115)145)124-92(152)67(23-16-18-42-111)126-103(163)85(56(7)8)134-99(159)75(51-83(116)146)130-105(165)87(58(10)15-2)136-95(155)68(24-17-19-43-112)123-94(154)70(36-39-81(114)144)125-101(161)78(53-171)133-102(162)79-26-21-45-138(79)107(167)72(38-41-84(147)148)127-100(160)77(52-140)132-106(166)88(61(13)141)137-98(158)74(50-63-30-34-65(143)35-31-63)128-91(151)66(113)49-62-28-32-64(142)33-29-62/h28-35,54-61,66-80,85-88,140-143,171H,14-27,36-53,111-113H2,1-13H3,(H2,114,144)(H2,115,145)(H2,116,146)(H,120,149)(H,121,164)(H,122,150)(H,123,154)(H,124,152)(H,125,161)(H,126,163)(H,127,160)(H,128,151)(H,129,153)(H,130,165)(H,131,157)(H,132,166)(H,133,162)(H,134,159)(H,135,156)(H,136,155)(H,137,158)(H,147,148)(H,169,170)(H4,117,118,119)/t57-,58-,59-,60-,61+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,85-,86-,87-,88-/m0/s1

InChIKey

GMJZSUDNPGRUTB-PXNGDXHESA-N

Compound name

(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

Related CIDs

• CID 16131834