Cpl-vip

Structural Information

Molecular Formula

C₁₄₈H₂₃₈ClN₄₃O₄₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)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)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=C(C=C3)Cl)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CN=CN4)N

InChI

InChI=1S/C148H238ClN43O43/c1-19-75(14)116(143(231)182-97(55-72(8)9)132(220)185-105(146(234)235)62-111(157)202)190-140(228)107(67-194)187-135(223)102(61-110(156)201)179-131(219)96(54-71(6)7)176-133(221)98(57-81-35-41-85(197)42-36-81)177-125(213)89(29-21-24-48-151)169-123(211)90(30-22-25-49-152)172-141(229)114(73(10)11)188-119(207)76(15)166-128(216)94(52-69(2)3)174-127(215)93(45-46-108(154)199)171-122(210)88(28-20-23-47-150)168-124(212)91(31-26-50-163-147(158)159)170-130(218)95(53-70(4)5)175-126(214)92(32-27-51-164-148(160)161)173-144(232)117(78(17)195)191-137(225)99(58-82-37-43-86(198)44-38-82)178-134(222)101(60-109(155)200)180-136(224)104(64-113(205)206)184-145(233)118(79(18)196)192-138(226)100(56-80-33-39-83(149)40-34-80)183-142(230)115(74(12)13)189-120(208)77(16)167-129(217)103(63-112(203)204)181-139(227)106(66-193)186-121(209)87(153)59-84-65-162-68-165-84/h33-44,65,68-79,87-107,114-118,193-198H,19-32,45-64,66-67,150-153H2,1-18H3,(H2,154,199)(H2,155,200)(H2,156,201)(H2,157,202)(H,162,165)(H,166,216)(H,167,217)(H,168,212)(H,169,211)(H,170,218)(H,171,210)(H,172,229)(H,173,232)(H,174,215)(H,175,214)(H,176,221)(H,177,213)(H,178,222)(H,179,219)(H,180,224)(H,181,227)(H,182,231)(H,183,230)(H,184,233)(H,185,220)(H,186,209)(H,187,223)(H,188,207)(H,189,208)(H,190,228)(H,191,225)(H,192,226)(H,203,204)(H,205,206)(H,234,235)(H4,158,159,163)(H4,160,161,164)/t75-,76-,77-,78+,79+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,114-,115-,116-,117-,118-/m0/s1

InChIKey

BKPARWGQWMAALF-JPUZJAJLSA-N

Compound name

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

Related CIDs

• CID 56841988