R3ntp-(1-24)

Structural Information

Molecular Formula

C₁₁₄H₁₇₄N₂₄O₄₃S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O)NC(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)N)O

InChI

InChI=1S/C114H174N24O43S2/c1-49(2)35-67(96(162)120-69(37-51(5)6)98(164)130-78(48-182)114(180)181)118-79(149)44-117-106(172)85(52(7)8)132-102(168)74(42-83(155)156)126-101(167)73(41-82(153)154)124-100(166)71(39-61-23-27-63(147)28-24-61)122-99(165)72(40-62-25-29-64(148)30-26-62)123-105(171)77(47-140)129-109(175)89(56(13)143)137-111(177)87(54(11)141)131-80(150)45-116-94(160)70(38-60-21-19-18-20-22-60)127-108(174)88(55(12)142)135-95(161)66(31-32-81(151)152)119-107(173)86(53(9)10)133-112(178)92(59(16)146)136-103(169)75(43-84(157)158)125-97(163)68(36-50(3)4)121-104(170)76(46-139)128-110(176)90(57(14)144)138-113(179)91(58(15)145)134-93(159)65(115)33-34-183-17/h18-30,49-59,65-78,85-92,139-148,182H,31-48,115H2,1-17H3,(H,116,160)(H,117,172)(H,118,149)(H,119,173)(H,120,162)(H,121,170)(H,122,165)(H,123,171)(H,124,166)(H,125,163)(H,126,167)(H,127,174)(H,128,176)(H,129,175)(H,130,164)(H,131,150)(H,132,168)(H,133,178)(H,134,159)(H,135,161)(H,136,169)(H,137,177)(H,138,179)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,180,181)/t54-,55-,56-,57-,58-,59-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,85+,86+,87+,88+,89+,90+,91+,92+/m1/s1

InChIKey

XSGNUDACXCYGAE-GHZQBKRASA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134122