Nh2-phe-lys-leu-pro-ile-gln-lys-glu-thr-trp-glu-thr-trp-trp-thr-glu-tyr-trp-glu-cooh

Structural Information

Molecular Formula

C₁₂₈H₁₇₀N₂₆O₃₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C128H170N26O33/c1-8-67(4)106(150-122(180)100-37-24-54-154(100)127(185)99(55-66(2)3)149-112(170)87(35-20-22-52-129)137-110(168)82(131)56-71-25-10-9-11-26-71)123(181)141-89(42-47-101(132)159)113(171)138-88(36-21-23-53-130)111(169)139-91(44-49-103(162)163)115(173)151-108(69(6)156)125(183)147-96(59-74-63-134-84-32-17-13-28-79(74)84)118(176)140-92(45-50-104(164)165)116(174)152-109(70(7)157)126(184)148-97(60-75-64-135-85-33-18-14-29-80(75)85)120(178)146-98(61-76-65-136-86-34-19-15-30-81(76)86)121(179)153-107(68(5)155)124(182)142-90(43-48-102(160)161)114(172)144-94(57-72-38-40-77(158)41-39-72)117(175)145-95(58-73-62-133-83-31-16-12-27-78(73)83)119(177)143-93(128(186)187)46-51-105(166)167/h9-19,25-34,38-41,62-70,82,87-100,106-109,133-136,155-158H,8,20-24,35-37,42-61,129-131H2,1-7H3,(H2,132,159)(H,137,168)(H,138,171)(H,139,169)(H,140,176)(H,141,181)(H,142,182)(H,143,177)(H,144,172)(H,145,175)(H,146,178)(H,147,183)(H,148,184)(H,149,170)(H,150,180)(H,151,173)(H,152,174)(H,153,179)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,186,187)/t67-,68+,69+,70+,82-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,106-,107-,108-,109-/m0/s1

InChIKey

PYGRYRCITYRCPW-WFDWEYRHSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid

Related CIDs

• CID 16186088