(2s)-2-[[(2s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2r)-2-[[(2s)-6-amino-2-[[(2r)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[(2r)-2-[[(2s)-1-[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-[[(2s)-4-carboxy-2-[[2-[[(2r)-2-[[(2s)-1-[(2s,3s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1h-imidazol-5-yl)propanoyl]amino]butanedioic acid

Structural Information

Molecular Formula

C₁₄₈H₂₂₈N₃₈O₄₃S₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H]4CCCN4C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]7CCCN7C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C148H228N38O43S6/c1-14-74(10)116(144(224)167-91(52-78-30-18-17-19-31-78)127(207)166-95(57-108(154)192)130(210)173-101(66-232)134(214)161-86(35-23-26-48-150)122(202)172-100(65-231)135(215)162-89(44-46-111(196)197)124(204)165-94(56-107(153)191)129(209)160-87(36-24-27-49-151)125(205)178-114(72(6)7)142(222)177-102(67-233)136(216)163-90(53-79-39-41-82(190)42-40-79)126(206)164-93(55-81-60-155-70-158-81)128(208)169-96(148(228)229)58-112(198)199)181-133(213)98(63-188)171-145(225)119(77(13)189)184-143(223)115(73(8)9)180-138(218)104(69-235)176-140(220)106-38-29-51-186(106)147(227)118(76(12)16-3)183-131(211)92(54-80-59-156-85-34-21-20-32-83(80)85)168-141(221)113(71(4)5)179-137(217)103(68-234)174-132(212)97(62-187)170-123(203)88(43-45-110(194)195)159-109(193)61-157-121(201)99(64-230)175-139(219)105-37-28-50-185(105)146(226)117(75(11)15-2)182-120(200)84(152)33-22-25-47-149/h17-21,30-32,34,39-42,59-60,70-77,84,86-106,113-119,156,187-190,230-235H,14-16,22-29,33,35-38,43-58,61-69,149-152H2,1-13H3,(H2,153,191)(H2,154,192)(H,155,158)(H,157,201)(H,159,193)(H,160,209)(H,161,214)(H,162,215)(H,163,216)(H,164,206)(H,165,204)(H,166,207)(H,167,224)(H,168,221)(H,169,208)(H,170,203)(H,171,225)(H,172,202)(H,173,210)(H,174,212)(H,175,219)(H,176,220)(H,177,222)(H,178,205)(H,179,217)(H,180,218)(H,181,213)(H,182,200)(H,183,211)(H,184,223)(H,194,195)(H,196,197)(H,198,199)(H,228,229)/t74-,75-,76-,77+,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-,117-,118-,119-/m0/s1

InChIKey

DWQNAWGQFCQJJV-RFBUYZOHSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[2-[[(2R)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanedioic acid

Related CIDs

• CID 49769480