Ac-casdakaydt evhnvwatha cvptdpnpqe-nh2

Structural Information

Molecular Formula

C₁₄₁H₂₀₈N₄₀O₄₉S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)C)O

InChI

InChI=1S/C141H208N40O49S2/c1-60(2)106(173-120(209)82(35-38-102(193)194)161-136(225)110(69(13)184)177-127(216)89(50-104(197)198)164-124(213)83(43-72-29-31-76(187)32-30-72)162-114(203)64(8)152-118(207)80(25-18-19-39-142)159-113(202)63(7)154-123(212)88(49-103(195)196)165-128(217)92(55-182)171-115(204)65(9)156-129(218)93(56-231)157-71(15)186)135(224)167-86(46-75-54-148-59-151-75)125(214)163-87(47-99(144)189)126(215)174-107(61(3)4)134(223)166-84(44-73-52-149-78-24-17-16-23-77(73)78)121(210)155-67(11)117(206)176-109(68(12)183)137(226)168-85(45-74-53-147-58-150-74)122(211)153-66(10)116(205)172-94(57-232)130(219)175-108(62(5)6)141(230)181-42-22-28-97(181)133(222)178-111(70(14)185)138(227)170-91(51-105(199)200)140(229)180-41-21-27-96(180)132(221)169-90(48-100(145)190)139(228)179-40-20-26-95(179)131(220)160-81(33-36-98(143)188)119(208)158-79(112(146)201)34-37-101(191)192/h16-17,23-24,29-32,52-54,58-70,79-97,106-111,149,182-185,187,231-232H,18-22,25-28,33-51,55-57,142H2,1-15H3,(H2,143,188)(H2,144,189)(H2,145,190)(H2,146,201)(H,147,150)(H,148,151)(H,152,207)(H,153,211)(H,154,212)(H,155,210)(H,156,218)(H,157,186)(H,158,208)(H,159,202)(H,160,220)(H,161,225)(H,162,203)(H,163,214)(H,164,213)(H,165,217)(H,166,223)(H,167,224)(H,168,226)(H,169,221)(H,170,227)(H,171,204)(H,172,205)(H,173,209)(H,174,215)(H,175,219)(H,176,206)(H,177,216)(H,178,222)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)/t63-,64-,65-,66-,67-,68+,69+,70+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,106-,107-,108-,109-,110-,111-/m0/s1

InChIKey

JNRZDPHRUZRBLW-WKEWSYFBSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoic acid

Related CIDs

• CID 16204861