P27a

Structural Information

Molecular Formula

C₁₅₀H₂₄₈N₅₂O₃₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]6CCCN6

InChI

InChI=1S/C150H248N52O36/c1-12-80(8)115(198-129(222)96(53-56-110(154)207)185-119(212)87-43-26-60-170-87)139(232)200-117(83(11)205)141(234)193-99(69-77(2)3)131(224)184-93(47-30-64-174-148(164)165)124(217)179-88(41-22-24-58-151)120(213)178-89(42-23-25-59-152)121(214)180-90(44-27-61-171-145(158)159)122(215)181-92(46-29-63-173-147(162)163)125(218)186-95(52-55-109(153)206)127(220)183-91(45-28-62-172-146(160)161)123(216)182-94(48-31-65-175-149(166)167)126(219)188-98(49-32-66-176-150(168)169)142(235)202-68-34-51-108(202)143(236)201-67-33-50-107(201)137(230)187-97(54-57-111(155)208)128(221)197-114(79(6)7)138(231)196-106(76-203)136(229)190-102(72-85-37-18-14-19-38-85)133(226)192-103(74-112(156)209)134(227)189-101(71-84-35-16-13-17-36-84)130(223)177-81(9)118(211)199-116(82(10)204)140(233)194-100(70-78(4)5)132(225)191-104(75-113(157)210)135(228)195-105(144(237)238)73-86-39-20-15-21-40-86/h13-21,35-40,77-83,87-108,114-117,170,203-205H,12,22-34,41-76,151-152H2,1-11H3,(H2,153,206)(H2,154,207)(H2,155,208)(H2,156,209)(H2,157,210)(H,177,223)(H,178,213)(H,179,217)(H,180,214)(H,181,215)(H,182,216)(H,183,220)(H,184,224)(H,185,212)(H,186,218)(H,187,230)(H,188,219)(H,189,227)(H,190,229)(H,191,225)(H,192,226)(H,193,234)(H,194,233)(H,195,228)(H,196,231)(H,197,221)(H,198,222)(H,199,211)(H,200,232)(H,237,238)(H4,158,159,171)(H4,160,161,172)(H4,162,163,173)(H4,164,165,174)(H4,166,167,175)(H4,168,169,176)/t80-,81-,82+,83+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,114-,115-,116-,117-/m0/s1

InChIKey

NGROPBCJOCFZTA-HRJSGPOUSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 16186463