Schembl30623152

Structural Information

Molecular Formula

C₁₅₂H₂₄₄N₄₂O₅₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C152H244N42O58/c1-16-72(13)120(192-143(242)94(53-70(9)10)182-147(246)103(64-196)190-138(237)97(56-76-62-164-66-165-76)188-150(249)121(73(14)17-2)193-144(243)95(54-71(11)12)183-148(247)104(65-197)191-151(250)122(74(15)198)194-145(244)96(55-75-24-26-77(199)27-25-75)184-141(240)98(58-110(161)205)178-123(222)78(155)57-109(160)204)149(248)176-89(37-47-118(218)219)130(229)171-88(36-46-117(216)217)134(233)189-102(63-195)146(245)175-83(31-41-108(159)203)131(230)186-100(60-112(163)207)139(238)172-82(30-40-107(158)202)127(226)167-80(28-38-105(156)200)125(224)169-84(32-42-113(208)209)128(227)166-79(22-18-20-48-153)124(223)185-99(59-111(162)206)140(239)174-85(33-43-114(210)211)129(228)168-81(29-39-106(157)201)126(225)170-86(34-44-115(212)213)132(231)179-92(51-68(5)6)136(235)181-91(50-67(3)4)135(234)173-87(35-45-116(214)215)133(232)180-93(52-69(7)8)137(236)187-101(61-119(220)221)142(241)177-90(152(251)252)23-19-21-49-154/h24-27,62,66-74,78-104,120-122,195-199H,16-23,28-61,63-65,153-155H2,1-15H3,(H2,156,200)(H2,157,201)(H2,158,202)(H2,159,203)(H2,160,204)(H2,161,205)(H2,162,206)(H2,163,207)(H,164,165)(H,166,227)(H,167,226)(H,168,228)(H,169,224)(H,170,225)(H,171,229)(H,172,238)(H,173,234)(H,174,239)(H,175,245)(H,176,248)(H,177,241)(H,178,222)(H,179,231)(H,180,232)(H,181,235)(H,182,246)(H,183,247)(H,184,240)(H,185,223)(H,186,230)(H,187,236)(H,188,249)(H,189,233)(H,190,237)(H,191,250)(H,192,242)(H,193,243)(H,194,244)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,251,252)/t72-,73-,74+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,120-,121-,122-/m0/s1

InChIKey

ZAOCWMPEIVNEQI-JDOIPBIBSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid

Related CIDs

• CID 16136669