(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)-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]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]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)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC5=CC=CC=C5)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](CC6=CC=C(C=C6)O)C(=O)N[C@@H](CC7=CN=CN7)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C148H228N38O43S6/c1-14-75(11)117(182-120(200)84(152)32-21-24-46-149)146(226)185-49-27-36-106(185)140(220)176-100(64-230)121(201)157-61-110(193)159-88(42-44-111(194)195)123(203)171-98(62-187)133(213)175-105(69-235)139(219)181-115(73(7)8)143(223)169-93(54-80-59-156-85-33-20-19-31-83(80)85)132(212)183-118(76(12)15-2)147(227)186-50-28-37-107(186)141(221)177-103(67-233)137(217)163-90(51-71(3)4)131(211)184-119(77(13)189)145(225)172-99(63-188)134(214)180-114(72(5)6)142(222)168-92(52-78-29-17-16-18-30-78)127(207)167-96(57-109(154)192)130(210)174-102(66-232)135(215)161-86(34-22-25-47-150)122(202)173-101(65-231)136(216)162-89(43-45-112(196)197)124(204)166-95(56-108(153)191)129(209)160-87(35-23-26-48-151)125(205)179-116(74(9)10)144(224)178-104(68-234)138(218)164-91(53-79-38-40-82(190)41-39-79)126(206)165-94(55-81-60-155-70-158-81)128(208)170-97(148(228)229)58-113(198)199/h16-20,29-31,33,38-41,59-60,70-77,84,86-107,114-119,156,187-190,230-235H,14-15,21-28,32,34-37,42-58,61-69,149-152H2,1-13H3,(H2,153,191)(H2,154,192)(H,155,158)(H,157,201)(H,159,193)(H,160,209)(H,161,215)(H,162,216)(H,163,217)(H,164,218)(H,165,206)(H,166,204)(H,167,207)(H,168,222)(H,169,223)(H,170,208)(H,171,203)(H,172,225)(H,173,202)(H,174,210)(H,175,213)(H,176,220)(H,177,221)(H,178,224)(H,179,205)(H,180,214)(H,181,219)(H,182,200)(H,183,212)(H,184,211)(H,194,195)(H,196,197)(H,198,199)(H,228,229)/t75-,76-,77+,84-,86-,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-,119-/m0/s1

InChIKey

BENRWNVBKBIJJY-IQBYISFTSA-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)-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]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]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 49769481