(4s)-4-[[(2s)-6-amino-2-[[(2s)-5-amino-2-[[(2s,3s)-2-[[(2s)-1-[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-[[(2s,3r)-1-[[(2s)-1-[[(2s)-4-carboxy-1-[[(2s,3r)-1-[[(2s)-1-[[(2s)-1-[[(2s,3r)-1-[[(2s)-4-carboxy-1-[[(2s)-1-[[(2s)-1-[[(2s)-4-carboxy-1-oxo-1-(2-sulfanylethylamino)butan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Structural Information

Molecular Formula

C₁₃₀H₁₇₅N₂₇O₃₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C130H175N27O32S/c1-8-69(4)108(153-125(184)102-37-24-55-157(102)130(189)101(57-68(2)3)152-115(174)89(35-20-22-52-131)140-112(171)84(133)58-73-25-10-9-11-26-73)126(185)145-92(42-47-103(134)162)116(175)141-90(36-21-23-53-132)114(173)143-94(45-50-106(167)168)118(177)154-110(71(6)159)128(187)150-98(61-76-65-137-86-32-17-13-28-81(76)86)122(181)144-95(46-51-107(169)170)119(178)155-111(72(7)160)129(188)151-99(62-77-66-138-87-33-18-14-29-82(77)87)123(182)149-100(63-78-67-139-88-34-19-15-30-83(78)88)124(183)156-109(70(5)158)127(186)146-93(44-49-105(165)166)117(176)147-96(59-74-38-40-79(161)41-39-74)120(179)148-97(60-75-64-136-85-31-16-12-27-80(75)85)121(180)142-91(43-48-104(163)164)113(172)135-54-56-190/h9-19,25-34,38-41,64-72,84,89-102,108-111,136-139,158-161,190H,8,20-24,35-37,42-63,131-133H2,1-7H3,(H2,134,162)(H,135,172)(H,140,171)(H,141,175)(H,142,180)(H,143,173)(H,144,181)(H,145,185)(H,146,186)(H,147,176)(H,148,179)(H,149,182)(H,150,187)(H,151,188)(H,152,174)(H,153,184)(H,154,177)(H,155,178)(H,156,183)(H,163,164)(H,165,166)(H,167,168)(H,169,170)/t69-,70+,71+,72+,84-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,108-,109-,110-,111-/m0/s1

InChIKey

YGYCIGFFKBKDFU-BOWJBGOFSA-N

Compound name

(4S)-4-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-oxo-1-(2-sulfanylethylamino)butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130582